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

Systemtic Name: 4-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]carbonylamino]benzoic acid Openeye Name: 4-[[4-(2-acetamido-4-methyl-thiazol-5-yl)thiazole-2-carbonyl]amino]benzoic acid CAS Name: 4-[[[4-(2-acetamido-4-methyl-5-thiazolyl)-2-thiazolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazole-2-carbonyl]amino]benzoic acid Traditional Name: 4-[[4-(2-acetamido-4-methyl-thiazol-5-yl)thiazole-2-carbonyl]amino]benzoic acid Formula: C17H14N4O4S2 MolecularWeight: 402.44746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C)C2=CSC(=N2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C)C2=CSC(=N2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H14N4O4S2/c1-8-13(27-17(18-8)19-9(2)22)12-7-26-15(21-12)14(23)20-11-5-3-10(4-6-11)16(24)25/h3-7H,1-2H3,(H,20,23)(H,24,25)(H,18,19,22)