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

Systemtic Name: butyl 2-[(2-methylphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(2-methylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(2-methylphenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(2-methylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(o-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=C3C

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3C

InChI

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