[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 2-benzamido-3-methyl-butanoate

Systemtic Name: [2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 2-benzamido-3-methyl-butanoate Openeye Name: [2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 2-benzamido-3-methyl-butanoate CAS Name: 2-benzamido-3-methylbutanoic acid [2-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-benzamido-3-methylbutanoate Traditional Name: 2-benzamido-3-methyl-butyric acid [2-keto-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]ethyl] ester Formula: C23H22N4O6S MolecularWeight: 482.50898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O6S/c1-14(2)20(26-21(29)15-7-4-3-5-8-15)22(30)33-12-19(28)25-23-24-18(13-34-23)16-9-6-10-17(11-16)27(31)32/h3-11,13-14,20H,12H2,1-2H3,(H,26,29)(H,24,25,28)