4-[(4-methoxyphenyl)sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[(4-methoxyphenyl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[(4-methoxyphenyl)sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-4-[[(4-methoxyphenyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[(4-methoxyphenyl)sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[(4-methoxyphenyl)thio]methyl]coumarin Formula: C17H14O4S MolecularWeight: 314.35566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

COC1=CC=C(C=C1)SCC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C17H14O4S/c1-20-13-3-5-14(6-4-13)22-10-11-8-17(19)21-16-9-12(18)2-7-15(11)16/h2-9,18H,10H2,1H3