ethyl 1-[2-[4-(1-methylimidazol-2-yl)carbonylquinolin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[4-(1-methylimidazol-2-yl)carbonylquinolin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[[4-(1-methylimidazole-2-carbonyl)-2-quinolyl]sulfanyl]acetyl]piperidine-3-carboxylate CAS Name: 1-[2-[[4-[(1-methyl-2-imidazolyl)-oxomethyl]-2-quinolinyl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[4-(1-methylimidazole-2-carbonyl)-2-quinolyl]thio]acetyl]nipecotic acid ethyl ester Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)C4=NC=CN4C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)C4=NC=CN4C

InChI

InChI=1S/C24H26N4O4S/c1-3-32-24(31)16-7-6-11-28(14-16)21(29)15-33-20-13-18(17-8-4-5-9-19(17)26-20)22(30)23-25-10-12-27(23)2/h4-5,8-10,12-13,16H,3,6-7,11,14-15H2,1-2H3