(2R)-2-(1,3-benzodioxol-5-yl)-6-ethylsulfanyl-5-(phenylcarbonyl)-2,3-dihydrothiopyran-4-one

Systemtic Name: (2R)-2-(1,3-benzodioxol-5-yl)-6-ethylsulfanyl-5-(phenylcarbonyl)-2,3-dihydrothiopyran-4-one Openeye Name: (2R)-2-(1,3-benzodioxol-5-yl)-5-benzoyl-6-ethylsulfanyl-2,3-dihydrothiopyran-4-one CAS Name: (2R)-2-(1,3-benzodioxol-5-yl)-5-benzoyl-6-(ethylthio)-2,3-dihydrothiopyran-4-one IUPAC Name: (2R)-2-(1,3-benzodioxol-5-yl)-5-benzoyl-6-ethylsulfanyl-2,3-dihydrothiopyran-4-one Traditional Name: (2R)-2-(1,3-benzodioxol-5-yl)-5-benzoyl-6-(ethylthio)-2,3-dihydrothiopyran-4-one Formula: C21H18O4S2 MolecularWeight: 398.49522

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=O)CC(S1)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCSC1=C(C(=O)C[C@@H](S1)C2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H18O4S2/c1-2-26-21-19(20(23)13-6-4-3-5-7-13)15(22)11-18(27-21)14-8-9-16-17(10-14)25-12-24-16/h3-10,18H,2,11-12H2,1H3/t18-/m1/s1