(3-chloranyl-1-benzothiophen-2-yl)methyl 2-[2-oxidanylidene-3-(trifluoromethyl)pyridin-1-yl]ethanoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 2-[2-oxidanylidene-3-(trifluoromethyl)pyridin-1-yl]ethanoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 2-[2-oxo-3-(trifluoromethyl)-1-pyridyl]acetate CAS Name: 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 2-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]acetate Traditional Name: 2-[2-keto-3-(trifluoromethyl)-1-pyridyl]acetic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C17H11ClF3NO3S MolecularWeight: 401.78735

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)COC(=O)CN3C=CC=C(C3=O)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)COC(=O)CN3C=CC=C(C3=O)C(F)(F)F)Cl

InChI

InChI=1S/C17H11ClF3NO3S/c18-15-10-4-1-2-6-12(10)26-13(15)9-25-14(23)8-22-7-3-5-11(16(22)24)17(19,20)21/h1-7H,8-9H2