6-phenyl-3-[(4-propan-2-yl-1,3-benzodioxol-5-yl)sulfanyl]pyran-2-one

Systemtic Name: 6-phenyl-3-[(4-propan-2-yl-1,3-benzodioxol-5-yl)sulfanyl]pyran-2-one Openeye Name: 3-[(4-isopropyl-1,3-benzodioxol-5-yl)sulfanyl]-6-phenyl-pyran-2-one CAS Name: 6-phenyl-3-[(4-propan-2-yl-1,3-benzodioxol-5-yl)thio]-2-pyranone IUPAC Name: 6-phenyl-3-[(4-propan-2-yl-1,3-benzodioxol-5-yl)sulfanyl]pyran-2-one Traditional Name: 3-[(4-isopropyl-1,3-benzodioxol-5-yl)thio]-6-phenyl-pyran-2-one Formula: C21H18O4S MolecularWeight: 366.43022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC2=C1OCO2)SC3=CC=C(OC3=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=C(C=CC2=C1OCO2)SC3=CC=C(OC3=O)C4=CC=CC=C4

InChI

InChI=1S/C21H18O4S/c1-13(2)19-17(10-9-16-20(19)24-12-23-16)26-18-11-8-15(25-21(18)22)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3