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

Systemtic Name: 2-ethylsulfanylethyl (4S,7S)-7-(2-chlorophenyl)-2-methyl-5-oxidanylidene-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,7S)-7-(2-chlorophenyl)-2-methyl-5-oxo-4-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7S)-7-(2-chlorophenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S,7S)-7-(2-chlorophenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7S)-7-(2-chlorophenyl)-5-keto-2-methyl-4-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C25H26ClNO3S2 MolecularWeight: 488.06184

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CC=C3Cl)N=C1C)C4=CC=CS4

Isomeric SMILES

CCSCCOC(=O)C1[C@@H](C2=C(C[C@@H](CC2=O)C3=CC=CC=C3Cl)N=C1C)C4=CC=CS4

InChI

InChI=1S/C25H26ClNO3S2/c1-3-31-12-10-30-25(29)22-15(2)27-19-13-16(17-7-4-5-8-18(17)26)14-20(28)23(19)24(22)21-9-6-11-32-21/h4-9,11,16,22,24H,3,10,12-14H2,1-2H3/t16-,22?,24-/m0/s1