3-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-phenylsulfanyl-2H-chromen-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-phenylsulfanyl-2H-chromen-4-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-phenylsulfanyl-chroman-4-one CAS Name: 3-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-(phenylthio)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-phenylsulfanyl-2H-chromen-4-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-(phenylthio)chroman-4-one Formula: C29H22O5S MolecularWeight: 482.54698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)C3=CC=CC=C3O2)(C4=CC5=C(C=C4)OCO5)SC6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(=O)C3=CC=CC=C3O2)(C4=CC5=C(C=C4)OCO5)SC6=CC=CC=C6

InChI

InChI=1S/C29H22O5S/c1-31-21-14-11-19(12-15-21)28-29(35-22-7-3-2-4-8-22,20-13-16-25-26(17-20)33-18-32-25)27(30)23-9-5-6-10-24(23)34-28/h2-17,28H,18H2,1H3