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

Systemtic Name: butyl 2-[(4-ethoxyphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(4-ethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(4-ethoxyphenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(4-ethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-ethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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=C(C=C3)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-3-5-12-27-20(25)15-8-11-17-18(13-15)28-21(22-17)23-19(24)14-6-9-16(10-7-14)26-4-2/h6-11,13H,3-5,12H2,1-2H3,(H,22,23,24)