butyl 2-[(3,5-dimethylphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[(3,5-dimethylphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(3,5-dimethylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3,5-dimethylphenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(3,5-dimethylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3,5-dimethylbenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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