prop-2-ynyl 4-[4-[[3-(1H-imidazol-5-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: prop-2-ynyl 4-[4-[[3-(1H-imidazol-5-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[4-[[1-(1H-imidazol-5-ylmethyl)-2-methoxy-2-oxo-ethyl]carbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[4-[[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[[1-(1H-imidazol-5-ylmethyl)-2-keto-2-methoxy-ethyl]carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid propargyl ester Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CN1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)OCC#C

Isomeric SMILES

COC(=O)C(CC1=CN=CN1)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)OCC#C

InChI

InChI=1S/C20H23N5O5S/c1-3-8-30-20(28)25-6-4-13(5-7-25)18-24-16(11-31-18)17(26)23-15(19(27)29-2)9-14-10-21-12-22-14/h1,10-13,15H,4-9H2,2H3,(H,21,22)(H,23,26)