6-ethyl-7-oxidanyl-4-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 6-ethyl-7-oxidanyl-4-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[[5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[[5-(trifluoromethyl)-2-pyridyl]thio]methyl]coumarin Formula: C18H14F3NO3S MolecularWeight: 381.36887

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=C(C=C3)C(F)(F)F)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=C(C=C3)C(F)(F)F)O

InChI

InChI=1S/C18H14F3NO3S/c1-2-10-5-13-11(6-17(24)25-15(13)7-14(10)23)9-26-16-4-3-12(8-22-16)18(19,20)21/h3-8,23H,2,9H2,1H3