7-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]chromen-2-one Openeye Name: 7-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]chromen-2-one CAS Name: 7-methoxy-4-[[[3-(trifluoromethyl)phenyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]chromen-2-one Traditional Name: 7-methoxy-4-[[[3-(trifluoromethyl)phenyl]thio]methyl]coumarin Formula: C18H13F3O3S MolecularWeight: 366.35423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H13F3O3S/c1-23-13-5-6-15-11(7-17(22)24-16(15)9-13)10-25-14-4-2-3-12(8-14)18(19,20)21/h2-9H,10H2,1H3