2-[(E)-3-aminocarbonyl-1-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxy-hept-5-enyl]sulfanylethyl ethanoate

Systemtic Name: 2-[(E)-3-aminocarbonyl-1-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxy-hept-5-enyl]sulfanylethyl ethanoate Openeye Name: 2-[(E)-3-carbamoyl-1-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]hept-5-enyl]sulfanylethyl acetate CAS Name: acetic acid 2-[[(E)-3-carbamoyl-1-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]hept-5-enyl]thio]ethyl ester IUPAC Name: 2-[(E)-3-carbamoyl-1-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxyhept-5-enyl]sulfanylethyl acetate Traditional Name: acetic acid 2-[[(E)-3-carbamoyl-1-[[4-(piperidinomethyl)-2-pyridyl]oxy]hept-5-enyl]thio]ethyl ester Formula: C23H35N3O4S MolecularWeight: 449.6067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CCC(CC(OC1=NC=CC(=C1)CN2CCCCC2)SCCOC(=O)C)C(=O)N

Isomeric SMILES

C/C=C/CC(CC(OC1=NC=CC(=C1)CN2CCCCC2)SCCOC(=O)C)C(=O)N

InChI

InChI=1S/C23H35N3O4S/c1-3-4-8-20(23(24)28)16-22(31-14-13-29-18(2)27)30-21-15-19(9-10-25-21)17-26-11-6-5-7-12-26/h3-4,9-10,15,20,22H,5-8,11-14,16-17H2,1-2H3,(H2,24,28)/b4-3+