methyl 8-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl]sulfanyl-8-oxidanylidene-octanoate

Systemtic Name: methyl 8-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl]sulfanyl-8-oxidanylidene-octanoate Openeye Name: methyl 8-[(E)-3-(octylamino)-3-oxo-prop-1-enyl]sulfanyl-8-oxo-octanoate CAS Name: 8-[[(E)-3-(octylamino)-3-oxoprop-1-enyl]thio]-8-oxooctanoic acid methyl ester IUPAC Name: methyl 8-[(E)-3-(octylamino)-3-oxoprop-1-enyl]sulfanyl-8-oxooctanoate Traditional Name: 8-keto-8-[[(E)-3-keto-3-(octylamino)prop-1-enyl]thio]caprylic acid methyl ester Formula: C20H35NO4S MolecularWeight: 385.5612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)CCCCCCC(=O)OC

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)CCCCCCC(=O)OC

InChI

InChI=1S/C20H35NO4S/c1-3-4-5-6-9-12-16-21-18(22)15-17-26-20(24)14-11-8-7-10-13-19(23)25-2/h15,17H,3-14,16H2,1-2H3,(H,21,22)/b17-15+