prop-2-ynyl 4-[4-[(5-chloranyl-2-methoxy-phenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: prop-2-ynyl 4-[4-[(5-chloranyl-2-methoxy-phenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[4-[(5-chloro-2-methoxy-phenyl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(5-chloro-2-methoxyanilino)-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[4-[(5-chloro-2-methoxyphenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(5-chloro-2-methoxy-phenyl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid propargyl ester Formula: C20H20ClN3O4S MolecularWeight: 433.9085

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)OCC#C

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)OCC#C

InChI

InChI=1S/C20H20ClN3O4S/c1-3-10-28-20(26)24-8-6-13(7-9-24)19-23-16(12-29-19)18(25)22-15-11-14(21)4-5-17(15)27-2/h1,4-5,11-13H,6-10H2,2H3,(H,22,25)