methyl 3-[5-[(E)-3-oxidanylidene-3-(2-phenylsulfanylethylamino)prop-1-enyl]furan-2-yl]propanoate

Systemtic Name: methyl 3-[5-[(E)-3-oxidanylidene-3-(2-phenylsulfanylethylamino)prop-1-enyl]furan-2-yl]propanoate Openeye Name: methyl 3-[5-[(E)-3-oxo-3-(2-phenylsulfanylethylamino)prop-1-enyl]-2-furyl]propanoate CAS Name: 3-[5-[(E)-3-oxo-3-[2-(phenylthio)ethylamino]prop-1-enyl]-2-furanyl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-[(E)-3-oxo-3-(2-phenylsulfanylethylamino)prop-1-enyl]furan-2-yl]propanoate Traditional Name: 3-[5-[(E)-3-keto-3-[2-(phenylthio)ethylamino]prop-1-enyl]-2-furyl]propionic acid methyl ester Formula: C19H21NO4S MolecularWeight: 359.43934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(O1)C=CC(=O)NCCSC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC1=CC=C(O1)/C=C/C(=O)NCCSC2=CC=CC=C2

InChI

InChI=1S/C19H21NO4S/c1-23-19(22)12-10-16-8-7-15(24-16)9-11-18(21)20-13-14-25-17-5-3-2-4-6-17/h2-9,11H,10,12-14H2,1H3,(H,20,21)/b11-9+