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

Systemtic Name: 2-ethylsulfanylethyl (4S,7R)-2-methyl-5-oxidanylidene-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,7R)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S,7R)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S,7R)-2-methyl-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S,7R)-5-keto-2-methyl-4,7-diphenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C27H29NO3S MolecularWeight: 447.58906

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3)C(=O)CC(C2)C4=CC=CC=C4)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=CC=C3)C(=O)C[C@@H](C2)C4=CC=CC=C4)C

InChI

InChI=1S/C27H29NO3S/c1-3-32-15-14-31-27(30)24-18(2)28-22-16-21(19-10-6-4-7-11-19)17-23(29)26(22)25(24)20-12-8-5-9-13-20/h4-13,21,25,28H,3,14-17H2,1-2H3/t21-,25-/m1/s1