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

Systemtic Name: butyl 2-[(4-ethylphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(4-ethylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(4-ethylphenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(4-ethylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-ethylbenzoyl)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=C(C=C3)CC

Isomeric SMILES

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

InChI

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