[1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 4-cyanobenzoate

Systemtic Name: [1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 4-cyanobenzoate Openeye Name: [1-methyl-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [1-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-1-methyl-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]ethyl] ester Formula: C20H14N4O5S MolecularWeight: 422.41396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14N4O5S/c1-12(29-19(26)14-7-5-13(10-21)6-8-14)18(25)23-20-22-17(11-30-20)15-3-2-4-16(9-15)24(27)28/h2-9,11-12H,1H3,(H,22,23,25)