ethyl 5-[2-[1-(2-hex-4-en-1-yn-3-yloxycarbonylphenyl)carbonylpiperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 5-[2-[1-(2-hex-4-en-1-yn-3-yloxycarbonylphenyl)carbonylpiperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-[2-[1-[2-(1-ethynylbut-2-enoxycarbonyl)benzoyl]-4-piperidyl]thiazol-4-yl]isoxazole-3-carboxylate CAS Name: 5-[2-[1-[[2-[hex-4-en-1-yn-3-yloxy(oxo)methyl]phenyl]-oxomethyl]-4-piperidinyl]-4-thiazolyl]-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[1-(2-hex-4-en-1-yn-3-yloxycarbonylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate Traditional Name: 5-[2-[1-[2-(1-ethynylbut-2-enoxycarbonyl)benzoyl]-4-piperidyl]thiazol-4-yl]isoxazole-3-carboxylic acid ethyl ester Formula: C28H27N3O6S MolecularWeight: 533.59548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=CC=CC=C4C(=O)OC(C=CC)C#C

Isomeric SMILES

CCOC(=O)C1=NOC(=C1)C2=CSC(=N2)C3CCN(CC3)C(=O)C4=CC=CC=C4C(=O)OC(C=CC)C#C

InChI

InChI=1S/C28H27N3O6S/c1-4-9-19(5-2)36-27(33)21-11-8-7-10-20(21)26(32)31-14-12-18(13-15-31)25-29-23(17-38-25)24-16-22(30-37-24)28(34)35-6-3/h2,4,7-11,16-19H,6,12-15H2,1,3H3