[2-(butylamino)-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C18H21NO3S MolecularWeight: 331.42924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)CSC1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CCCCNC(=O)COC(=O)CSC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C18H21NO3S/c1-2-3-10-19-17(20)12-22-18(21)13-23-16-9-8-14-6-4-5-7-15(14)11-16/h4-9,11H,2-3,10,12-13H2,1H3,(H,19,20)