methyl 4-[2-[(4-cyanophenyl)carbonylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[2-[(4-cyanophenyl)carbonylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-[(4-cyanobenzoyl)amino]thiazol-4-yl]-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[[(4-cyanophenyl)-oxomethyl]amino]-4-thiazolyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[(4-cyanobenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[(4-cyanobenzoyl)amino]thiazol-4-yl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C17H12N4O3S MolecularWeight: 352.36718

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1=CC(=CN1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H12N4O3S/c1-24-16(23)13-6-12(8-19-13)14-9-25-17(20-14)21-15(22)11-4-2-10(7-18)3-5-11/h2-6,8-9,19H,1H3,(H,20,21,22)