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

Systemtic Name: [1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate Openeye Name: [1-methyl-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic 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] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-keto-1-methyl-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]ethyl] ester Formula: C20H17N3O7S2 MolecularWeight: 475.49488

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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(=CC=C3)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O7S2/c1-12(30-19(25)14-6-4-8-16(10-14)32(2,28)29)18(24)22-20-21-17(11-31-20)13-5-3-7-15(9-13)23(26)27/h3-12H,1-2H3,(H,21,22,24)