(3S)-3-[(4-chlorophenyl)sulfanylmethyl]-7-propoxy-3,4-dihydro-2H-isoquinolin-1-one

Systemtic Name: (3S)-3-[(4-chlorophenyl)sulfanylmethyl]-7-propoxy-3,4-dihydro-2H-isoquinolin-1-one Openeye Name: (3S)-3-[(4-chlorophenyl)sulfanylmethyl]-7-propoxy-3,4-dihydro-2H-isoquinolin-1-one CAS Name: (3S)-3-[[(4-chlorophenyl)thio]methyl]-7-propoxy-3,4-dihydro-2H-isoquinolin-1-one IUPAC Name: (3S)-3-[(4-chlorophenyl)sulfanylmethyl]-7-propoxy-3,4-dihydro-2H-isoquinolin-1-one Traditional Name: (3S)-3-[[(4-chlorophenyl)thio]methyl]-7-propoxy-3,4-dihydroisocarbostyril Formula: C19H20ClNO2S MolecularWeight: 361.8856

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(CC(NC2=O)CSC3=CC=C(C=C3)Cl)C=C1

Isomeric SMILES

CCCOC1=CC2=C(C[C@H](NC2=O)CSC3=CC=C(C=C3)Cl)C=C1

InChI

InChI=1S/C19H20ClNO2S/c1-2-9-23-16-6-3-13-10-15(21-19(22)18(13)11-16)12-24-17-7-4-14(20)5-8-17/h3-8,11,15H,2,9-10,12H2,1H3,(H,21,22)/t15-/m0/s1