1-[[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]carbonyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]carbonyl]piperidine-3-carboxylic acid Openeye Name: 1-[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl]piperidine-3-carboxylic acid CAS Name: 1-[[5-[(4-methoxyanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl]piperidine-3-carboxylic acid Traditional Name: 1-[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl]nipecotic acid Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)C(=O)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)C(=O)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C17H18N4O5S/c1-26-12-6-4-11(5-7-12)18-13(22)14-19-20-15(27-14)16(23)21-8-2-3-10(9-21)17(24)25/h4-7,10H,2-3,8-9H2,1H3,(H,18,22)(H,24,25)