2H-thiochromen-3-yl 2,2-diethyl-4-(4-fluorophenyl)-3,5-bis(oxidanyl)hept-6-enoate

Systemtic Name: 2H-thiochromen-3-yl 2,2-diethyl-4-(4-fluorophenyl)-3,5-bis(oxidanyl)hept-6-enoate Openeye Name: 2H-thiochromen-3-yl 2,2-diethyl-4-(4-fluorophenyl)-3,5-dihydroxy-hept-6-enoate CAS Name: 2,2-diethyl-4-(4-fluorophenyl)-3,5-dihydroxy-6-heptenoic acid 2H-1-benzothiopyran-3-yl ester IUPAC Name: 2H-thiochromen-3-yl 2,2-diethyl-4-(4-fluorophenyl)-3,5-dihydroxyhept-6-enoate Traditional Name: 2,2-diethyl-4-(4-fluorophenyl)-3,5-dihydroxy-hept-6-enoic acid 2H-thiochromen-3-yl ester Formula: C26H29FO4S MolecularWeight: 456.569463

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(C(C1=CC=C(C=C1)F)C(C=C)O)O)C(=O)OC2=CC3=CC=CC=C3SC2

Isomeric SMILES

CCC(CC)(C(C(C1=CC=C(C=C1)F)C(C=C)O)O)C(=O)OC2=CC3=CC=CC=C3SC2

InChI

InChI=1S/C26H29FO4S/c1-4-21(28)23(17-11-13-19(27)14-12-17)24(29)26(5-2,6-3)25(30)31-20-15-18-9-7-8-10-22(18)32-16-20/h4,7-15,21,23-24,28-29H,1,5-6,16H2,2-3H3