[2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-[3-(2-methylthiazol-4-yl)anilino]-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-[3-(2-methyl-4-thiazolyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-keto-2-[3-(2-methylthiazol-4-yl)anilino]ethyl] ester Formula: C20H17N3O7S2 MolecularWeight: 475.49488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O7S2/c1-12-21-16(11-31-12)13-4-3-5-15(8-13)22-19(24)10-30-20(25)14-6-7-18(32(2,28)29)17(9-14)23(26)27/h3-9,11H,10H2,1-2H3,(H,22,24)