[2-(1,3-benzothiazol-2-yl)-5-[(3-methylphenyl)carbonylamino]phenyl] 3-methylbenzoate

Systemtic Name: [2-(1,3-benzothiazol-2-yl)-5-[(3-methylphenyl)carbonylamino]phenyl] 3-methylbenzoate Openeye Name: [2-(1,3-benzothiazol-2-yl)-5-[(3-methylbenzoyl)amino]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-(1,3-benzothiazol-2-yl)-5-[[(3-methylphenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-yl)-5-[(3-methylbenzoyl)amino]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-(1,3-benzothiazol-2-yl)-5-(m-toluoylamino)phenyl] ester Formula: C29H22N2O3S MolecularWeight: 478.56158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC(=CC=C5)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC(=CC=C5)C

InChI

InChI=1S/C29H22N2O3S/c1-18-7-5-9-20(15-18)27(32)30-22-13-14-23(28-31-24-11-3-4-12-26(24)35-28)25(17-22)34-29(33)21-10-6-8-19(2)16-21/h3-17H,1-2H3,(H,30,32)