S-tert-butyl (2R)-2-[(1R,7aR)-7a-methyl-5-oxidanylidene-4-phenylsulfanyl-2,3,6,7-tetrahydro-1H-inden-1-yl]-6-methyl-hept-6-enethioate

Systemtic Name: S-tert-butyl (2R)-2-[(1R,7aR)-7a-methyl-5-oxidanylidene-4-phenylsulfanyl-2,3,6,7-tetrahydro-1H-inden-1-yl]-6-methyl-hept-6-enethioate Openeye Name: S-tert-butyl (2R)-2-[(1R,7aR)-7a-methyl-5-oxo-4-phenylsulfanyl-2,3,6,7-tetrahydro-1H-inden-1-yl]-6-methyl-hept-6-enethioate CAS Name: (2R)-2-[(1R,7aR)-7a-methyl-5-oxo-4-(phenylthio)-2,3,6,7-tetrahydro-1H-inden-1-yl]-6-methyl-6-heptenethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (2R)-2-[(1R,7aR)-7a-methyl-5-oxo-4-phenylsulfanyl-2,3,6,7-tetrahydro-1H-inden-1-yl]-6-methylhept-6-enethioate Traditional Name: (2R)-2-[(1R,7aR)-5-keto-7a-methyl-4-(phenylthio)-2,3,6,7-tetrahydro-1H-inden-1-yl]-6-methyl-hept-6-enethioic acid S-tert-butyl ester Formula: C28H38O2S2 MolecularWeight: 470.73012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CCCC(C1CCC2=C(C(=O)CCC12C)SC3=CC=CC=C3)C(=O)SC(C)(C)C

Isomeric SMILES

CC(=C)CCC[C@H]([C@H]1CCC2=C(C(=O)CC[C@]12C)SC3=CC=CC=C3)C(=O)SC(C)(C)C

InChI

InChI=1S/C28H38O2S2/c1-19(2)11-10-14-21(26(30)32-27(3,4)5)22-15-16-23-25(24(29)17-18-28(22,23)6)31-20-12-8-7-9-13-20/h7-9,12-13,21-22H,1,10-11,14-18H2,2-6H3/t21-,22-,28-/m1/s1