4-[3-(2-ethylsulfanylethoxycarbonyl)-7-(2-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[3-(2-ethylsulfanylethoxycarbonyl)-7-(2-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[3-(2-ethylsulfanylethoxycarbonyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[3-[2-(ethylthio)ethoxy-oxomethyl]-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[3-(2-ethylsulfanylethoxycarbonyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[3-[2-(ethylthio)ethoxycarbonyl]-5-keto-7-(2-methoxyphenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-2-methoxy-6-nitro-phenolate Formula: C29H31N2O8S- MolecularWeight: 567.63004

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])C(=O)CC(C2)C4=CC=CC=C4OC)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])C(=O)CC(C2)C4=CC=CC=C4OC)C

InChI

InChI=1S/C29H32N2O8S/c1-5-40-11-10-39-29(34)25-16(2)30-20-12-17(19-8-6-7-9-23(19)37-3)14-22(32)27(20)26(25)18-13-21(31(35)36)28(33)24(15-18)38-4/h6-9,13,15,17,26,30,33H,5,10-12,14H2,1-4H3/p-1