methyl 4-[2-[[(4-methylphenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[[(4-methylphenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 3-nitro-4-[2-oxo-2-[[p-tolyl(2-thienyl)methyl]amino]ethoxy]benzoate CAS Name: 4-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-keto-2-[[p-tolyl(2-thienyl)methyl]amino]ethoxy]-3-nitro-benzoic acid methyl ester Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)COC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)COC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O6S/c1-14-5-7-15(8-6-14)21(19-4-3-11-31-19)23-20(25)13-30-18-10-9-16(22(26)29-2)12-17(18)24(27)28/h3-12,21H,13H2,1-2H3,(H,23,25)