(4R,5S)-5-(1,3-benzodioxol-5-yl)-3-ethylsulfanyl-4-(phenylcarbonyl)cyclohex-2-en-1-one

Systemtic Name: (4R,5S)-5-(1,3-benzodioxol-5-yl)-3-ethylsulfanyl-4-(phenylcarbonyl)cyclohex-2-en-1-one Openeye Name: (4R,5S)-5-(1,3-benzodioxol-5-yl)-4-benzoyl-3-ethylsulfanyl-cyclohex-2-en-1-one CAS Name: (4R,5S)-5-(1,3-benzodioxol-5-yl)-4-benzoyl-3-(ethylthio)-1-cyclohex-2-enone IUPAC Name: (4R,5S)-5-(1,3-benzodioxol-5-yl)-4-benzoyl-3-ethylsulfanylcyclohex-2-en-1-one Traditional Name: (4R,5S)-5-(1,3-benzodioxol-5-yl)-4-benzoyl-3-(ethylthio)cyclohex-2-en-1-one Formula: C22H20O4S MolecularWeight: 380.4568

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=O)CC(C1C(=O)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCSC1=CC(=O)C[C@@H]([C@@H]1C(=O)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H20O4S/c1-2-27-20-12-16(23)11-17(15-8-9-18-19(10-15)26-13-25-18)21(20)22(24)14-6-4-3-5-7-14/h3-10,12,17,21H,2,11,13H2,1H3/t17-,21+/m1/s1