1-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[[4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carbonyl)isonipecotic acid Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCC(CC3)C(=O)O)N4C=CC=C4)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCC(CC3)C(=O)O)N4C=CC=C4)C

InChI

InChI=1S/C20H21N3O3S/c1-12-11-13(2)21-18-15(12)16(22-7-3-4-8-22)17(27-18)19(24)23-9-5-14(6-10-23)20(25)26/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H,25,26)