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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-6-chloranyl-7-methyl-chromen-2-one Openeye Name: 4-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-6-chloro-7-methyl-chromen-2-one CAS Name: 4-[(1,3-benzodioxol-5-ylmethylthio)methyl]-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylsulfanylmethyl)-6-chloro-7-methylchromen-2-one Traditional Name: 6-chloro-7-methyl-4-[(piperonylthio)methyl]coumarin Formula: C19H15ClO4S MolecularWeight: 374.838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSCC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSCC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C19H15ClO4S/c1-11-4-17-14(7-15(11)20)13(6-19(21)24-17)9-25-8-12-2-3-16-18(5-12)23-10-22-16/h2-7H,8-10H2,1H3