2-ethylsulfanylethyl (4S)-2-methyl-5-oxidanylidene-4-(3-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4S)-2-methyl-5-oxidanylidene-4-(3-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S)-4-(3-benzyloxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S)-2-methyl-5-oxo-4-(3-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S)-2-methyl-5-oxo-4-(3-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S)-4-(3-benzoxyphenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C28H31NO4S MolecularWeight: 477.61504

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)CCC2)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)CCC2)C

InChI

InChI=1S/C28H31NO4S/c1-3-34-16-15-32-28(31)25-19(2)29-23-13-8-14-24(30)27(23)26(25)21-11-7-12-22(17-21)33-18-20-9-5-4-6-10-20/h4-7,9-12,17,26,29H,3,8,13-16,18H2,1-2H3/t26-/m1/s1