3-ethyl-4-(phenylmethylsulfanyl)chromen-2-one

Systemtic Name: 3-ethyl-4-(phenylmethylsulfanyl)chromen-2-one Openeye Name: 4-benzylsulfanyl-3-ethyl-chromen-2-one CAS Name: 3-ethyl-4-(phenylmethylthio)-1-benzopyran-2-one IUPAC Name: 4-benzylsulfanyl-3-ethylchromen-2-one Traditional Name: 4-(benzylthio)-3-ethyl-coumarin Formula: C18H16O2S MolecularWeight: 296.38344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2OC1=O)SCC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C2=CC=CC=C2OC1=O)SCC3=CC=CC=C3

InChI

InChI=1S/C18H16O2S/c1-2-14-17(21-12-13-8-4-3-5-9-13)15-10-6-7-11-16(15)20-18(14)19/h3-11H,2,12H2,1H3