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

Systemtic Name: [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate Openeye Name: [2-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [2-[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [2-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C21H19N3O8S MolecularWeight: 473.45586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O8S/c1-29-16-6-5-13(8-15(16)24(27)28)20(26)32-10-19(25)23-21-22-14(11-33-21)12-4-7-17(30-2)18(9-12)31-3/h4-9,11H,10H2,1-3H3,(H,22,23,25)