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

Systemtic Name: 2-ethylsulfanylethyl 2-methyl-4-(4-nitrophenyl)-5-oxidanylidene-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-4-(4-nitrophenyl)-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-4-(4-nitrophenyl)-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C25H26N2O5S2 MolecularWeight: 498.61434

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4)C

InChI

InChI=1S/C25H26N2O5S2/c1-3-33-12-10-32-25(29)22-15(2)26-19-13-17(21-5-4-11-34-21)14-20(28)24(19)23(22)16-6-8-18(9-7-16)27(30)31/h4-9,11,13,17,23-24,26H,3,10,12,14H2,1-2H3