[2-methoxy-4-[(E)-3-oxidanylidene-3-thiophen-2-yl-prop-1-enyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-3-oxidanylidene-3-thiophen-2-yl-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-3-oxo-3-(2-thienyl)prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-keto-3-(2-thienyl)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H18O5S2 MolecularWeight: 414.49462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=CC(=O)C3=CC=CS3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)C3=CC=CS3)OC

InChI

InChI=1S/C21H18O5S2/c1-15-5-9-17(10-6-15)28(23,24)26-19-12-8-16(14-20(19)25-2)7-11-18(22)21-4-3-13-27-21/h3-14H,1-2H3/b11-7+