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

Systemtic Name: prop-2-ynyl 4-[4-[(3-methoxycarbonylphenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[4-[(3-methoxycarbonylphenyl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(3-methoxycarbonylanilino)-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[4-[(3-methoxycarbonylphenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(3-carbomethoxyphenyl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid propargyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)OCC#C

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)OCC#C

InChI

InChI=1S/C21H21N3O5S/c1-3-11-29-21(27)24-9-7-14(8-10-24)19-23-17(13-30-19)18(25)22-16-6-4-5-15(12-16)20(26)28-2/h1,4-6,12-14H,7-11H2,2H3,(H,22,25)