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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

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