methyl (E)-8-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]oct-2-enoate

Systemtic Name: methyl (E)-8-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]oct-2-enoate Openeye Name: methyl (E)-8-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochroman-4-yl]oct-2-enoate CAS Name: (E)-8-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]-2-octenoic acid methyl ester IUPAC Name: methyl (E)-8-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]oct-2-enoate Traditional Name: (E)-8-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochroman-4-yl]oct-2-enoic acid methyl ester Formula: C27H34O4S MolecularWeight: 454.62146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C1CCCCCC=CC(=O)OC)C=CC(=C2)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1(CSC2=C(C1CCCCC/C=C/C(=O)OC)C=CC(=C2)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H34O4S/c1-27(20-12-14-21(29-2)15-13-20)19-32-25-18-22(30-3)16-17-23(25)24(27)10-8-6-5-7-9-11-26(28)31-4/h9,11-18,24H,5-8,10,19H2,1-4H3/b11-9+