8-methyl-7-oxidanyl-4-[(phenylmethylsulfanyl)methyl]chromen-2-one

Systemtic Name: 8-methyl-7-oxidanyl-4-[(phenylmethylsulfanyl)methyl]chromen-2-one Openeye Name: 4-(benzylsulfanylmethyl)-7-hydroxy-8-methyl-chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[(phenylmethylthio)methyl]-1-benzopyran-2-one IUPAC Name: 4-(benzylsulfanylmethyl)-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[(benzylthio)methyl]-7-hydroxy-8-methyl-coumarin Formula: C18H16O3S MolecularWeight: 312.38284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSCC3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSCC3=CC=CC=C3)O

InChI

InChI=1S/C18H16O3S/c1-12-16(19)8-7-15-14(9-17(20)21-18(12)15)11-22-10-13-5-3-2-4-6-13/h2-9,19H,10-11H2,1H3