(4-nitrophenyl)methyl 2-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (4-nitrophenyl)methyl 2-[2-(3-methoxyanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-methoxyanilino)-2-oxoethyl]thio]benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(m-anisidino)ethyl]thio]benzoic acid (4-nitrobenzyl) ester Formula: C23H20N2O6S MolecularWeight: 452.4797

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O6S/c1-30-19-6-4-5-17(13-19)24-22(26)15-32-21-8-3-2-7-20(21)23(27)31-14-16-9-11-18(12-10-16)25(28)29/h2-13H,14-15H2,1H3,(H,24,26)