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

Systemtic Name: 2-ethylsulfanylethyl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C29H30N2O8S MolecularWeight: 566.6221

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)CC(C2)C5=CC=C(C=C5)OC)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)CC(C2)C5=CC=C(C=C5)OC)C

InChI

InChI=1S/C29H30N2O8S/c1-4-40-10-9-37-29(33)26-16(2)30-21-11-18(17-5-7-19(36-3)8-6-17)12-23(32)28(21)27(26)20-13-24-25(39-15-38-24)14-22(20)31(34)35/h5-8,13-14,18,27,30H,4,9-12,15H2,1-3H3