methyl 2-[(4-cyanophenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(4-cyanophenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(4-cyanobenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(4-cyanophenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-cyanobenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-cyanobenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H11N3O3S MolecularWeight: 337.35254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11N3O3S/c1-23-16(22)12-6-7-13-14(8-12)24-17(19-13)20-15(21)11-4-2-10(9-18)3-5-11/h2-8H,1H3,(H,19,20,21)