4-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-6,7-dimethyl-chromen-2-one Openeye Name: 4-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-6,7-dimethyl-chromen-2-one CAS Name: 4-[(1,3-benzodioxol-5-ylmethylthio)methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-6,7-dimethylchromen-2-one Traditional Name: 6,7-dimethyl-4-[(piperonylthio)methyl]coumarin Formula: C20H18O4S MolecularWeight: 354.41952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C20H18O4S/c1-12-5-16-15(8-20(21)24-18(16)6-13(12)2)10-25-9-14-3-4-17-19(7-14)23-11-22-17/h3-8H,9-11H2,1-2H3