butyl 2-[(3-methylphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[(3-methylphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(3-methylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(3-methylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(m-toluoylamino)-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C20H20N2O3S/c1-3-4-10-25-19(24)15-8-9-16-17(12-15)26-20(21-16)22-18(23)14-7-5-6-13(2)11-14/h5-9,11-12H,3-4,10H2,1-2H3,(H,21,22,23)