methyl 2-[(3-cyanophenyl)carbonylamino]-1,3-thiazole-4-carboxylate hydrochloride

Systemtic Name: methyl 2-[(3-cyanophenyl)carbonylamino]-1,3-thiazole-4-carboxylate hydrochloride Openeye Name: methyl 2-[(3-cyanobenzoyl)amino]thiazole-4-carboxylate hydrochloride CAS Name: 2-[[(3-cyanophenyl)-oxomethyl]amino]-4-thiazolecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 2-[(3-cyanobenzoyl)amino]-1,3-thiazole-4-carboxylate hydrochloride Traditional Name: 2-[(3-cyanobenzoyl)amino]thiazole-4-carboxylic acid methyl ester hydrochloride Formula: C13H10ClN3O3S MolecularWeight: 323.7548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=N1)NC(=O)C2=CC=CC(=C2)C#N.Cl

Isomeric SMILES

COC(=O)C1=CSC(=N1)NC(=O)C2=CC=CC(=C2)C#N.Cl

InChI

InChI=1S/C13H9N3O3S.ClH/c1-19-12(18)10-7-20-13(15-10)16-11(17)9-4-2-3-8(5-9)6-14;/h2-5,7H,1H3,(H,15,16,17);1H