ethyl 2-(3-methylbutylamino)-3-phenylsulfanyl-propanoate

Systemtic Name: ethyl 2-(3-methylbutylamino)-3-phenylsulfanyl-propanoate Openeye Name: ethyl 2-(isopentylamino)-3-phenylsulfanyl-propanoate CAS Name: 2-(3-methylbutylamino)-3-(phenylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-(3-methylbutylamino)-3-phenylsulfanylpropanoate Traditional Name: 2-(isoamylamino)-3-(phenylthio)propionic acid ethyl ester Formula: C16H25NO2S MolecularWeight: 295.4402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC1=CC=CC=C1)NCCC(C)C

Isomeric SMILES

CCOC(=O)C(CSC1=CC=CC=C1)NCCC(C)C

InChI

InChI=1S/C16H25NO2S/c1-4-19-16(18)15(17-11-10-13(2)3)12-20-14-8-6-5-7-9-14/h5-9,13,15,17H,4,10-12H2,1-3H3