[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate

Systemtic Name: [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-[[4-(2,5-dimethoxyphenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-[[4-(2,5-dimethoxyphenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-[[4-(2,5-dimethoxyphenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C21H19N3O7S MolecularWeight: 457.45646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=NC(=CS2)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=NC(=CS2)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H19N3O7S/c1-12-5-4-6-14(19(12)24(27)28)20(26)31-10-18(25)23-21-22-16(11-32-21)15-9-13(29-2)7-8-17(15)30-3/h4-9,11H,10H2,1-3H3,(H,22,23,25)