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

Systemtic Name: methyl 8-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]octanoate Openeye Name: methyl 8-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochroman-4-yl]octanoate CAS Name: 8-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]octanoic acid methyl ester IUPAC Name: methyl 8-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]octanoate Traditional Name: 8-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochroman-4-yl]caprylic acid methyl ester Formula: C27H36O4S MolecularWeight: 456.63734

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C1CCCCCCCC(=O)OC)C=CC(=C2)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1(CSC2=C(C1CCCCCCCC(=O)OC)C=CC(=C2)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H36O4S/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/h12-18,24H,5-11,19H2,1-4H3