prop-2-ynyl 4-[4-[2-cyanoethyl(pyridin-3-ylmethyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: prop-2-ynyl 4-[4-[2-cyanoethyl(pyridin-3-ylmethyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[4-[2-cyanoethyl(3-pyridylmethyl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[2-cyanoethyl(3-pyridinylmethyl)amino]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[4-[2-cyanoethyl(pyridin-3-ylmethyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[2-cyanoethyl(3-pyridylmethyl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid propargyl ester Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)N(CCC#N)CC3=CN=CC=C3

Isomeric SMILES

C#CCOC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)N(CCC#N)CC3=CN=CC=C3

InChI

InChI=1S/C22H23N5O3S/c1-2-13-30-22(29)26-11-6-18(7-12-26)20-25-19(16-31-20)21(28)27(10-4-8-23)15-17-5-3-9-24-14-17/h1,3,5,9,14,16,18H,4,6-7,10-13,15H2