[2-[ethanoyl(phenyl)amino]-1,3-thiazol-4-yl]methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-[ethanoyl(phenyl)amino]-1,3-thiazol-4-yl]methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(N-acetylanilino)thiazol-4-yl]methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-(N-acetylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(N-acetylanilino)thiazol-4-yl]methyl ester Formula: C21H19N3O7S MolecularWeight: 457.45646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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