[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] (E)-3-(3-methoxyphenyl)prop-2-enoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] (E)-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] (E)-3-(3-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3-methoxyphenyl)-2-propenoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] (E)-3-(3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-methoxyphenyl)acrylic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C20H20O4S2 MolecularWeight: 388.5004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=CC(=O)OC2=C(C=C(C=C2)C3SCCS3)OC

Isomeric SMILES

COC1=CC=CC(=C1)/C=C/C(=O)OC2=C(C=C(C=C2)C3SCCS3)OC

InChI

InChI=1S/C20H20O4S2/c1-22-16-5-3-4-14(12-16)6-9-19(21)24-17-8-7-15(13-18(17)23-2)20-25-10-11-26-20/h3-9,12-13,20H,10-11H2,1-2H3/b9-6+