methyl 2-[5-oxidanylidene-5-[[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]amino]pentyl]sulfanylethanoate

Systemtic Name: methyl 2-[5-oxidanylidene-5-[[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]amino]pentyl]sulfanylethanoate Openeye Name: methyl 2-[5-oxo-5-[[(E)-4-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]but-2-enyl]amino]pentyl]sulfanylacetate CAS Name: 2-[[5-oxo-5-[[(E)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]but-2-enyl]amino]pentyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[5-oxo-5-[[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]amino]pentyl]sulfanylacetate Traditional Name: 2-[[5-keto-5-[[(E)-4-[[4-(piperidinomethyl)-2-pyridyl]oxy]but-2-enyl]amino]pentyl]thio]acetic acid methyl ester Formula: C23H35N3O4S MolecularWeight: 449.6067

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCCCCC(=O)NCC=CCOC1=NC=CC(=C1)CN2CCCCC2

Isomeric SMILES

COC(=O)CSCCCCC(=O)NC/C=C/COC1=NC=CC(=C1)CN2CCCCC2

InChI

InChI=1S/C23H35N3O4S/c1-29-23(28)19-31-16-8-3-9-21(27)24-11-4-7-15-30-22-17-20(10-12-25-22)18-26-13-5-2-6-14-26/h4,7,10,12,17H,2-3,5-6,8-9,11,13-16,18-19H2,1H3,(H,24,27)/b7-4+