NKX-2677

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H28N2O4S2
Molecular Weight	556.695
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1(C)CCN2CCC(C)(C)C3=C4OC(=O)C(=CC4=CC1=C23)C5=CC=C(S5)C6=CC=C(S6)\C=C(/C#N)C(O)=O

InChI

InChIKey=ZAFJUCKHIVBFIV-QGOAFFKASA-N

InChI=1S/C31H28N2O4S2/c1-30(2)9-11-33-12-10-31(3,4)25-26(33)21(30)15-17-14-20(29(36)37-27(17)25)22-7-8-24(39-22)23-6-5-19(38-23)13-18(16-32)28(34)35/h5-8,13-15H,9-12H2,1-4H3,(H,34,35)/b18-13+

HIDE SMILES / InChI

Molecular Formula	C31H28N2O4S2
Molecular Weight	556.695
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:40:48 GMT 2023` Edited by `admin` on `Sat Dec 16 15:40:48 GMT 2023`
Record UNII	8LQ5FH3QU7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NKX-2677

Code

English

2-PROPENOIC ACID, 2-CYANO-3-(5'-(2,3,6,7-TETRAHYDRO-1,1,7,7-TETRAMETHYL-11-OXO-1H,5H,11H-(1)BENZOPYRANO(6,7,8-IJ)QUINOLIZIN-10-YL)(2,2'-BITHIOPHEN)-5-YL)-, (2E)-

Systematic Name

English

NKX-2677 DYE [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m11837