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

Systemtic Name: 2-ethylsulfanylethyl 4-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl 4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-5-keto-2-methyl-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C27H30N2O7S2 MolecularWeight: 558.6663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C3C(=O)CC(C=C3NC(=C2C(=O)OCCSCC)C)C4=CC=CS4

Isomeric SMILES

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C3C(=O)CC(C=C3NC(=C2C(=O)OCCSCC)C)C4=CC=CS4

InChI

InChI=1S/C27H30N2O7S2/c1-4-35-21-14-17(12-19(26(21)31)29(33)34)24-23(27(32)36-8-10-37-5-2)15(3)28-18-11-16(13-20(30)25(18)24)22-7-6-9-38-22/h6-7,9,11-12,14,16,24-25,28,31H,4-5,8,10,13H2,1-3H3