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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CNC(=C2)C(=O)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=NC(=CS1)C2=CNC(=C2)C(=O)N3CCC[C@@H](C3)C(=O)O

InChI

InChI=1S/C15H17N3O3S/c1-9-17-13(8-22-9)11-5-12(16-6-11)14(19)18-4-2-3-10(7-18)15(20)21/h5-6,8,10,16H,2-4,7H2,1H3,(H,20,21)/t10-/m0/s1