1-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]carbonyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]carbonyl]piperidine-3-carboxylic acid Openeye Name: 1-[4-(2-acetamido-4-methyl-thiazol-5-yl)thiazole-2-carbonyl]piperidine-3-carboxylic acid CAS Name: 1-[[4-(2-acetamido-4-methyl-5-thiazolyl)-2-thiazolyl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazole-2-carbonyl]piperidine-3-carboxylic acid Traditional Name: 1-[4-(2-acetamido-4-methyl-thiazol-5-yl)thiazole-2-carbonyl]nipecotic acid Formula: C16H18N4O4S2 MolecularWeight: 394.46852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C)C2=CSC(=N2)C(=O)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C)C2=CSC(=N2)C(=O)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C16H18N4O4S2/c1-8-12(26-16(17-8)18-9(2)21)11-7-25-13(19-11)14(22)20-5-3-4-10(6-20)15(23)24/h7,10H,3-6H2,1-2H3,(H,23,24)(H,17,18,21)