2-ethylsulfanylethyl 7-(2-chlorophenyl)-2-methyl-4-(5-methylthiophen-2-yl)-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl 7-(2-chlorophenyl)-2-methyl-4-(5-methylthiophen-2-yl)-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl 7-(2-chlorophenyl)-2-methyl-4-(5-methyl-2-thienyl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 7-(2-chlorophenyl)-2-methyl-4-(5-methyl-2-thiophenyl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl 7-(2-chlorophenyl)-2-methyl-4-(5-methylthiophen-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 7-(2-chlorophenyl)-5-keto-2-methyl-4-(5-methyl-2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C26H28ClNO3S2 MolecularWeight: 502.08842

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC=C(S3)C)C4=CC=CC=C4Cl)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC=C(S3)C)C4=CC=CC=C4Cl)C

InChI

InChI=1S/C26H28ClNO3S2/c1-4-32-12-11-31-26(30)23-16(3)28-20-13-17(18-7-5-6-8-19(18)27)14-21(29)24(20)25(23)22-10-9-15(2)33-22/h5-10,13,17,24-25,28H,4,11-12,14H2,1-3H3