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

Systemtic Name: 2-ethylsulfanylethyl (4S,7S)-4-(2-chlorophenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,7S)-4-(2-chlorophenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7S)-4-(2-chlorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S,7S)-4-(2-chlorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7S)-4-(2-chlorophenyl)-5-keto-2-methyl-7-(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=CS3)N=C1C)C4=CC=CC=C4Cl

Isomeric SMILES

CCSCCOC(=O)C1[C@@H](C2=C(C[C@@H](CC2=O)C3=CC=CS3)N=C1C)C4=CC=CC=C4Cl

InChI

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