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

Systemtic Name: prop-2-ynyl 4-[4-[(2,3-dimethyl-4-oxidanyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[4-[(4-hydroxy-2,3-dimethyl-phenyl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(4-hydroxy-2,3-dimethylanilino)-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[4-[(4-hydroxy-2,3-dimethylphenyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(4-hydroxy-2,3-dimethyl-phenyl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid propargyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)O)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)OCC#C

Isomeric SMILES

CC1=C(C=CC(=C1C)O)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)OCC#C

InChI

InChI=1S/C21H23N3O4S/c1-4-11-28-21(27)24-9-7-15(8-10-24)20-23-17(12-29-20)19(26)22-16-5-6-18(25)14(3)13(16)2/h1,5-6,12,15,25H,7-11H2,2-3H3,(H,22,26)