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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSCC3=CC4=C(C=C3)OCO4

InChI

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