ethyl 2-[[2-[(2-methylphenyl)methyl]-3-sulfanyl-propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: ethyl 2-[[2-[(2-methylphenyl)methyl]-3-sulfanyl-propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: ethyl 4-methylsulfanyl-2-[[2-(o-tolylmethyl)-3-sulfanyl-propanoyl]amino]butanoate CAS Name: 2-[[2-(mercaptomethyl)-3-(2-methylphenyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2-methylphenyl)methyl]-3-sulfanylpropanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-(mercaptomethyl)-3-(o-tolyl)propanoyl]amino]-4-(methylthio)butyric acid ethyl ester Formula: C18H27NO3S2 MolecularWeight: 369.54188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)C(CC1=CC=CC=C1C)CS

Isomeric SMILES

CCOC(=O)C(CCSC)NC(=O)C(CC1=CC=CC=C1C)CS

InChI

InChI=1S/C18H27NO3S2/c1-4-22-18(21)16(9-10-24-3)19-17(20)15(12-23)11-14-8-6-5-7-13(14)2/h5-8,15-16,23H,4,9-12H2,1-3H3,(H,19,20)