[2-[(E)-3-(1-benzofuran-2-yl)-3-oxidanylidene-prop-1-enyl]phenyl] 4-phenylsulfanylbutanoate

Systemtic Name: [2-[(E)-3-(1-benzofuran-2-yl)-3-oxidanylidene-prop-1-enyl]phenyl] 4-phenylsulfanylbutanoate Openeye Name: [2-[(E)-3-(benzofuran-2-yl)-3-oxo-prop-1-enyl]phenyl] 4-phenylsulfanylbutanoate CAS Name: 4-(phenylthio)butanoic acid [2-[(E)-3-(2-benzofuranyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-[(E)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] 4-phenylsulfanylbutanoate Traditional Name: 4-(phenylthio)butyric acid [2-[(E)-3-(benzofuran-2-yl)-3-keto-prop-1-enyl]phenyl] ester Formula: C27H22O4S MolecularWeight: 442.52618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCC(=O)OC2=CC=CC=C2C=CC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C(C=C1)SCCCC(=O)OC2=CC=CC=C2/C=C/C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C27H22O4S/c28-23(26-19-21-10-5-7-14-25(21)30-26)17-16-20-9-4-6-13-24(20)31-27(29)15-8-18-32-22-11-2-1-3-12-22/h1-7,9-14,16-17,19H,8,15,18H2/b17-16+