butyl 2-[(3,4-dimethylphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[(3,4-dimethylphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(3,4-dimethylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3,4-dimethylphenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(3,4-dimethylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3,4-dimethylbenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-4-5-10-26-20(25)16-8-9-17-18(12-16)27-21(22-17)23-19(24)15-7-6-13(2)14(3)11-15/h6-9,11-12H,4-5,10H2,1-3H3,(H,22,23,24)