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

Systemtic Name: 1-[(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)carbonyl]piperidine-3-carboxylic acid Openeye Name: 1-(4-methyl-2-pyrrol-1-yl-thiazole-5-carbonyl)piperidine-3-carboxylic acid CAS Name: 1-[[4-methyl-2-(1-pyrrolyl)-5-thiazolyl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid Traditional Name: 1-(4-methyl-2-pyrrol-1-yl-thiazole-5-carbonyl)nipecotic acid Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2C=CC=C2)C(=O)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)N2C=CC=C2)C(=O)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C15H17N3O3S/c1-10-12(22-15(16-10)17-6-2-3-7-17)13(19)18-8-4-5-11(9-18)14(20)21/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,20,21)