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

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C29H21N3O5S MolecularWeight: 523.55914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C29H21N3O5S/c1-18-15-16-22(24(17-18)32(35)36)30-27(33)26(19-9-3-2-4-10-19)37-29(34)21-12-6-5-11-20(21)28-31-23-13-7-8-14-25(23)38-28/h2-17,26H,1H3,(H,30,33)