(2S,3S)-3-(3,4-dimethoxyphenyl)-2-phenylsulfanyl-4-oxaspiro[4.5]decan-1-one

Systemtic Name: (2S,3S)-3-(3,4-dimethoxyphenyl)-2-phenylsulfanyl-4-oxaspiro[4.5]decan-1-one Openeye Name: (2S,3S)-3-(3,4-dimethoxyphenyl)-2-phenylsulfanyl-4-oxaspiro[4.5]decan-1-one CAS Name: (2S,3S)-3-(3,4-dimethoxyphenyl)-2-(phenylthio)-4-oxaspiro[4.5]decan-1-one IUPAC Name: (2S,3S)-3-(3,4-dimethoxyphenyl)-2-phenylsulfanyl-4-oxaspiro[4.5]decan-1-one Traditional Name: (2S,3S)-3-(3,4-dimethoxyphenyl)-2-(phenylthio)-4-oxaspiro[4.5]decan-1-one Formula: C23H26O4S MolecularWeight: 398.51514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(=O)C3(O2)CCCCC3)SC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2[C@@H](C(=O)C3(O2)CCCCC3)SC4=CC=CC=C4)OC

InChI

InChI=1S/C23H26O4S/c1-25-18-12-11-16(15-19(18)26-2)20-21(28-17-9-5-3-6-10-17)22(24)23(27-20)13-7-4-8-14-23/h3,5-6,9-12,15,20-21H,4,7-8,13-14H2,1-2H3/t20-,21-/m0/s1