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

Systemtic Name: 2-ethylsulfanylethyl (4S,7R)-7-(3-methoxyphenyl)-2-methyl-5-oxidanylidene-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,7R)-7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S,7R)-7-(3-methoxyphenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S,7R)-7-(3-methoxyphenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S,7R)-5-keto-7-(3-methoxyphenyl)-2-methyl-4-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C26H29NO4S2 MolecularWeight: 483.64276

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=CS3)C(=O)CC(C2)C4=CC(=CC=C4)OC)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=CS3)C(=O)C[C@@H](C2)C4=CC(=CC=C4)OC)C

InChI

InChI=1S/C26H29NO4S2/c1-4-32-12-10-31-26(29)23-16(2)27-20-14-18(17-7-5-8-19(13-17)30-3)15-21(28)24(20)25(23)22-9-6-11-33-22/h5-9,11,13,18,25,27H,4,10,12,14-15H2,1-3H3/t18-,25-/m1/s1