ethyl (2Z,4Z)-2-(dimethylamino)-5-methylsulfanyl-6-oxidanylidene-6-(4-piperidin-1-ylphenyl)hexa-2,4-dienoate

Systemtic Name: ethyl (2Z,4Z)-2-(dimethylamino)-5-methylsulfanyl-6-oxidanylidene-6-(4-piperidin-1-ylphenyl)hexa-2,4-dienoate Openeye Name: ethyl (2Z,4Z)-2-(dimethylamino)-5-methylsulfanyl-6-oxo-6-[4-(1-piperidyl)phenyl]hexa-2,4-dienoate CAS Name: (2Z,4Z)-2-(dimethylamino)-5-(methylthio)-6-oxo-6-[4-(1-piperidinyl)phenyl]hexa-2,4-dienoic acid ethyl ester IUPAC Name: ethyl (2Z,4Z)-2-(dimethylamino)-5-methylsulfanyl-6-oxo-6-(4-piperidin-1-ylphenyl)hexa-2,4-dienoate Traditional Name: (2Z,4Z)-2-(dimethylamino)-6-keto-5-(methylthio)-6-(4-piperidinophenyl)hexa-2,4-dienoic acid ethyl ester Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC=C(C(=O)C1=CC=C(C=C1)N2CCCCC2)SC)N(C)C

Isomeric SMILES

CCOC(=O)/C(=C/C=C(/C(=O)C1=CC=C(C=C1)N2CCCCC2)\SC)/N(C)C

InChI

InChI=1S/C22H30N2O3S/c1-5-27-22(26)19(23(2)3)13-14-20(28-4)21(25)17-9-11-18(12-10-17)24-15-7-6-8-16-24/h9-14H,5-8,15-16H2,1-4H3/b19-13-,20-14-