methyl 2-[phenyl-[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]ethanoate

Systemtic Name: methyl 2-[phenyl-[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]ethanoate Openeye Name: methyl 2-(N-(2-benzyl-3-sulfanyl-propanoyl)anilino)acetate CAS Name: 2-(N-[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-(2-benzyl-3-sulfanylpropanoyl)anilino)acetate Traditional Name: 2-(N-(2-benzyl-3-mercapto-propanoyl)anilino)acetic acid methyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(C1=CC=CC=C1)C(=O)C(CC2=CC=CC=C2)CS

Isomeric SMILES

COC(=O)CN(C1=CC=CC=C1)C(=O)C(CC2=CC=CC=C2)CS

InChI

InChI=1S/C19H21NO3S/c1-23-18(21)13-20(17-10-6-3-7-11-17)19(22)16(14-24)12-15-8-4-2-5-9-15/h2-11,16,24H,12-14H2,1H3