methyl (2S)-2-[2-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]oxyethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]oxyethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]oxyacetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enoxy]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]oxyacetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[(E)-3-[4-(methylthio)phenyl]acryloyl]oxyacetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H23NO5S MolecularWeight: 413.48672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)C=CC2=CC=C(C=C2)SC

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)SC

InChI

InChI=1S/C22H23NO5S/c1-27-22(26)19(14-17-6-4-3-5-7-17)23-20(24)15-28-21(25)13-10-16-8-11-18(29-2)12-9-16/h3-13,19H,14-15H2,1-2H3,(H,23,24)/b13-10+/t19-/m0/s1