4-[[(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(4-methyl-2-pyrrol-1-yl-thiazole-5-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[[4-methyl-2-(1-pyrrolyl)-5-thiazolyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(4-methyl-2-pyrrol-1-yl-thiazole-5-carbonyl)amino]methyl]benzoic acid Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2C=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)N2C=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H15N3O3S/c1-11-14(24-17(19-11)20-8-2-3-9-20)15(21)18-10-12-4-6-13(7-5-12)16(22)23/h2-9H,10H2,1H3,(H,18,21)(H,22,23)