ethyl 2-[8-[4-(cyclohexylamino)-4-oxidanylidene-butyl]naphthalen-2-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[8-[4-(cyclohexylamino)-4-oxidanylidene-butyl]naphthalen-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[[8-[4-(cyclohexylamino)-4-oxo-butyl]-2-naphthyl]sulfanyl]-3-oxo-butanoate CAS Name: 2-[[8-[4-(cyclohexylamino)-4-oxobutyl]-2-naphthalenyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[8-[4-(cyclohexylamino)-4-oxobutyl]naphthalen-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 2-[[8-[4-(cyclohexylamino)-4-keto-butyl]-2-naphthyl]thio]-3-keto-butyric acid ethyl ester Formula: C26H33NO4S MolecularWeight: 455.60952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC1=CC2=C(C=CC=C2CCCC(=O)NC3CCCCC3)C=C1

Isomeric SMILES

CCOC(=O)C(C(=O)C)SC1=CC2=C(C=CC=C2CCCC(=O)NC3CCCCC3)C=C1

InChI

InChI=1S/C26H33NO4S/c1-3-31-26(30)25(18(2)28)32-22-16-15-20-10-7-9-19(23(20)17-22)11-8-14-24(29)27-21-12-5-4-6-13-21/h7,9-10,15-17,21,25H,3-6,8,11-14H2,1-2H3,(H,27,29)