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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSCC3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSCC3=CC=CC=C3

InChI

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