[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: [2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: [2-(2,4-dimethoxyphenyl)-2-oxo-ethyl] 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid [2-(2,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoic acid [2-(2,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C21H18N2O7S2 MolecularWeight: 474.50682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC(=O)C3=C(C=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC(=O)C3=C(C=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O7S2/c1-12-11-31-21(22-12)32-19-7-4-13(8-16(19)23(26)27)20(25)30-10-17(24)15-6-5-14(28-2)9-18(15)29-3/h4-9,11H,10H2,1-3H3