[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [1-methyl-2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-keto-1-methyl-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C24H19N3O5S MolecularWeight: 461.48976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)OC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)OC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H19N3O5S/c1-14-11-12-16(27(30)31)13-20(14)25-22(28)15(2)32-24(29)18-8-4-3-7-17(18)23-26-19-9-5-6-10-21(19)33-23/h3-13,15H,1-2H3,(H,25,28)