(3-chloranyl-1-benzothiophen-2-yl)methyl 2-[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 2-[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridyl]acetate CAS Name: 2-[2-oxo-5-(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-5-(trifluoromethyl)pyridin-1-yl]acetate Traditional Name: 2-[2-keto-5-(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=C(C=CC3=O)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)COC(=O)CN3C=C(C=CC3=O)C(F)(F)F)Cl

InChI

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