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

Systemtic Name: 2-ethylsulfanylethyl (4S)-2-methyl-5-oxidanylidene-4-(2-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S)-4-(2-benzyloxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S)-2-methyl-5-oxo-4-(2-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S)-2-methyl-5-oxo-4-(2-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S)-4-(2-benzoxyphenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-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)C1C(C2=C(CCCC2=O)N=C1C)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

CCSCCOC(=O)C1[C@H](C2=C(CCCC2=O)N=C1C)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C28H31NO4S/c1-3-34-17-16-32-28(31)25-19(2)29-22-13-9-14-23(30)27(22)26(25)21-12-7-8-15-24(21)33-18-20-10-5-4-6-11-20/h4-8,10-12,15,25-26H,3,9,13-14,16-18H2,1-2H3/t25?,26-/m1/s1