[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)benzoate

Systemtic Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)benzoate Openeye Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 2-(p-tolyl)benzoate CAS Name: 2-(4-methylphenyl)benzoic acid [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(4-methylphenyl)benzoate Traditional Name: 2-(p-tolyl)benzoic acid [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OCC(=O)NC3=NC4=C(C=C(C=C4S3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OCC(=O)NC3=NC4=C(C=C(C=C4S3)C)C

InChI

InChI=1S/C25H22N2O3S/c1-15-8-10-18(11-9-15)19-6-4-5-7-20(19)24(29)30-14-22(28)26-25-27-23-17(3)12-16(2)13-21(23)31-25/h4-13H,14H2,1-3H3,(H,26,27,28)