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

Systemtic Name: methyl 5-[3-[2-oxidanylidene-6-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]piperidin-1-yl]propyl]thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C24H29NO4S MolecularWeight: 427.55636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO4S/c1-29-24(28)22-15-14-21(30-22)10-6-16-25-19(9-5-11-23(25)27)12-13-20(26)17-18-7-3-2-4-8-18/h2-4,7-8,12-15,19-20,26H,5-6,9-11,16-17H2,1H3/b13-12+