methyl 4-[(2-pyrrol-1-yl-1,3-thiazol-4-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(2-pyrrol-1-yl-1,3-thiazol-4-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(2-pyrrol-1-ylthiazole-4-carbonyl)amino]benzoate CAS Name: 4-[[oxo-[2-(1-pyrrolyl)-4-thiazolyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-pyrrol-1-yl-1,3-thiazole-4-carbonyl)amino]benzoate Traditional Name: 4-[(2-pyrrol-1-ylthiazole-4-carbonyl)amino]benzoic acid methyl ester Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CSC(=N2)N3C=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CSC(=N2)N3C=CC=C3

InChI

InChI=1S/C16H13N3O3S/c1-22-15(21)11-4-6-12(7-5-11)17-14(20)13-10-23-16(18-13)19-8-2-3-9-19/h2-10H,1H3,(H,17,20)