7-ethyl-4-[(2-fluorophenyl)sulfanylmethyl]chromen-2-one

Systemtic Name: 7-ethyl-4-[(2-fluorophenyl)sulfanylmethyl]chromen-2-one Openeye Name: 7-ethyl-4-[(2-fluorophenyl)sulfanylmethyl]chromen-2-one CAS Name: 7-ethyl-4-[[(2-fluorophenyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[(2-fluorophenyl)sulfanylmethyl]chromen-2-one Traditional Name: 7-ethyl-4-[[(2-fluorophenyl)thio]methyl]coumarin Formula: C18H15FO2S MolecularWeight: 314.373903

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=CC=CC=C3F

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=CC=CC=C3F

InChI

InChI=1S/C18H15FO2S/c1-2-12-7-8-14-13(10-18(20)21-16(14)9-12)11-22-17-6-4-3-5-15(17)19/h3-10H,2,11H2,1H3