[2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 3-(4-methoxyphenyl)prop-2-enoate CAS Name: 3-(4-methoxyphenyl)-2-propenoic acid [2-oxo-2-[[1-oxo-3-(phenylthio)propyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 3-(4-methoxyphenyl)prop-2-enoate Traditional Name: 3-(4-methoxyphenyl)acrylic acid [2-keto-2-[3-(phenylthio)propanoylamino]ethyl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)OCC(=O)NC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)C=CC(=O)OCC(=O)NC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C21H21NO5S/c1-26-17-10-7-16(8-11-17)9-12-21(25)27-15-20(24)22-19(23)13-14-28-18-5-3-2-4-6-18/h2-12H,13-15H2,1H3,(H,22,23,24)