prop-2-ynyl 4-[4-[1,3-benzodioxol-5-yl(ethyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: prop-2-ynyl 4-[4-[1,3-benzodioxol-5-yl(ethyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[4-[1,3-benzodioxol-5-yl(ethyl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[1,3-benzodioxol-5-yl(ethyl)amino]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[4-[1,3-benzodioxol-5-yl(ethyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[1,3-benzodioxol-5-yl(ethyl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid propargyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)OCO2)C(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)OCC#C

Isomeric SMILES

CCN(C1=CC2=C(C=C1)OCO2)C(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)OCC#C

InChI

InChI=1S/C22H23N3O5S/c1-3-11-28-22(27)24-9-7-15(8-10-24)20-23-17(13-31-20)21(26)25(4-2)16-5-6-18-19(12-16)30-14-29-18/h1,5-6,12-13,15H,4,7-11,14H2,2H3