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

Systemtic Name: ethyl 2-(3-methylbutanoylamino)-3-phenylsulfanyl-propanoate Openeye Name: ethyl 2-(3-methylbutanoylamino)-3-phenylsulfanyl-propanoate CAS Name: 2-[(3-methyl-1-oxobutyl)amino]-3-(phenylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-(3-methylbutanoylamino)-3-phenylsulfanylpropanoate Traditional Name: 2-(isovalerylamino)-3-(phenylthio)propionic acid ethyl ester Formula: C16H23NO3S MolecularWeight: 309.42372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c1-4-20-16(19)14(17-15(18)10-12(2)3)11-21-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H,17,18)