propan-2-yl 5-[3-[2-oxidanylidene-6-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]piperidin-1-yl]propyl]thiophene-2-carboxylate

Systemtic Name: propan-2-yl 5-[3-[2-oxidanylidene-6-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]piperidin-1-yl]propyl]thiophene-2-carboxylate Openeye Name: isopropyl 5-[3-[2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-6-oxo-1-piperidyl]propyl]thiophene-2-carboxylate CAS Name: 5-[3-[2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-6-oxo-1-piperidinyl]propyl]-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[3-[2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-6-oxopiperidin-1-yl]propyl]thiophene-2-carboxylate Traditional Name: 5-[3-[2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-6-keto-piperidino]propyl]thiophene-2-carboxylic acid isopropyl ester Formula: C26H33NO4S MolecularWeight: 455.60952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(S1)CCCN2C(CCCC2=O)C=CC(CC3=CC=CC=C3)O

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(S1)CCCN2C(CCCC2=O)/C=C/C(CC3=CC=CC=C3)O

InChI

InChI=1S/C26H33NO4S/c1-19(2)31-26(30)24-16-15-23(32-24)11-7-17-27-21(10-6-12-25(27)29)13-14-22(28)18-20-8-4-3-5-9-20/h3-5,8-9,13-16,19,21-22,28H,6-7,10-12,17-18H2,1-2H3/b14-13+