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

Systemtic Name: 2-ethylsulfanylethyl (4S,7R)-2-methyl-4-(4-methyl-3-nitro-phenyl)-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,7R)-2-methyl-4-(4-methyl-3-nitro-phenyl)-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S,7R)-2-methyl-4-(4-methyl-3-nitrophenyl)-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)-2-methyl-4-(4-methyl-3-nitrophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S,7R)-5-keto-2-methyl-4-(4-methyl-3-nitro-phenyl)-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C26H28N2O5S2 MolecularWeight: 512.64092

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)C)[N+](=O)[O-])C(=O)CC(C2)C4=CC=CS4)C

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O5S2/c1-4-34-11-9-33-26(30)23-16(3)27-19-12-18(22-6-5-10-35-22)14-21(29)25(19)24(23)17-8-7-15(2)20(13-17)28(31)32/h5-8,10,13,18,24,27H,4,9,11-12,14H2,1-3H3/t18-,24-/m1/s1