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

Systemtic Name: 2-ethylsulfanylethyl (4R,7S)-2-methyl-4-naphthalen-1-yl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R,7S)-2-methyl-4-(1-naphthyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,7S)-2-methyl-4-(1-naphthalenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R,7S)-2-methyl-4-naphthalen-1-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,7S)-5-keto-2-methyl-4-(1-naphthyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C31H31NO3S MolecularWeight: 497.64774

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CC=C3)N=C1C)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCSCCOC(=O)C1[C@@H](C2=C(C[C@@H](CC2=O)C3=CC=CC=C3)N=C1C)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C31H31NO3S/c1-3-36-17-16-35-31(34)28-20(2)32-26-18-23(21-10-5-4-6-11-21)19-27(33)30(26)29(28)25-15-9-13-22-12-7-8-14-24(22)25/h4-15,23,28-29H,3,16-19H2,1-2H3/t23-,28?,29-/m0/s1