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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16ClNO2S.ClH
Molecular Weight 358.283
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl (?S)-?-(2-chlorophenyl)-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-acetate hydrochloride

SMILES

Cl.COC(=O)[C@@H](N1CCC2=C(C1)SC=C2)C3=CC=CC=C3Cl

InChI

InChIKey=SYAKRIYLSOOCKW-RSAXXLAASA-N
InChI=1S/C16H16ClNO2S.ClH/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-11-7-9-21-14(11)10-18;/h2-5,7,9,15H,6,8,10H2,1H3;1H/t15-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H16ClNO2S
Molecular Weight 321.822
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity ( + )

Approval Year

Substance Class Chemical
Record UNII
K92EA7JH9Z
Record Status Validated (UNII)
Record Version