methyl 4-[2-sulfanylidene-5-(trifluoromethyl)-3H-benzimidazol-1-yl]butanoate

Systemtic Name: methyl 4-[2-sulfanylidene-5-(trifluoromethyl)-3H-benzimidazol-1-yl]butanoate Openeye Name: methyl 4-[2-thioxo-5-(trifluoromethyl)-3H-benzimidazol-1-yl]butanoate CAS Name: 4-[2-sulfanylidene-5-(trifluoromethyl)-3H-benzimidazol-1-yl]butanoic acid methyl ester IUPAC Name: methyl 4-[2-sulfanylidene-5-(trifluoromethyl)-3H-benzimidazol-1-yl]butanoate Traditional Name: 4-[2-thioxo-5-(trifluoromethyl)-3H-benzimidazol-1-yl]butyric acid methyl ester Formula: C13H13F3N2O2S MolecularWeight: 318.31473

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C2=C(C=C(C=C2)C(F)(F)F)NC1=S

Isomeric SMILES

COC(=O)CCCN1C2=C(C=C(C=C2)C(F)(F)F)NC1=S

InChI

InChI=1S/C13H13F3N2O2S/c1-20-11(19)3-2-6-18-10-5-4-8(13(14,15)16)7-9(10)17-12(18)21/h4-5,7H,2-3,6H2,1H3,(H,17,21)