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

Systemtic Name: 2-ethylsulfanylethyl (4S,7R)-4-(4-methoxycarbonylphenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,7R)-4-(4-methoxycarbonylphenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(4-methoxycarbonylphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S,7R)-4-(4-methoxycarbonylphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(4-carbomethoxyphenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C27H29NO5S2 MolecularWeight: 511.65286

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(=O)OC)C(=O)CC(C2)C4=CC=CS4)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=C(C=C3)C(=O)OC)C(=O)C[C@@H](C2)C4=CC=CS4)C

InChI

InChI=1S/C27H29NO5S2/c1-4-34-13-11-33-27(31)23-16(2)28-20-14-19(22-6-5-12-35-22)15-21(29)25(20)24(23)17-7-9-18(10-8-17)26(30)32-3/h5-10,12,19,24,28H,4,11,13-15H2,1-3H3/t19-,24-/m1/s1