methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[5-[(2-fluoranylphenoxy)methyl]-4-(1-methoxypropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[5-[(2-fluoranylphenoxy)methyl]-4-(1-methoxypropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[5-[(2-fluorophenoxy)methyl]-4-(2-methoxy-1-methyl-ethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[5-[(2-fluorophenoxy)methyl]-4-(1-methoxypropan-2-yl)-1,2,4-triazol-3-yl]thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[5-[(2-fluorophenoxy)methyl]-4-(1-methoxypropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[5-[(2-fluorophenoxy)methyl]-4-(2-methoxy-1-methyl-ethyl)-1,2,4-triazol-3-yl]thio]-3-keto-butyric acid methyl ester Formula: C25H26FN5O5S MolecularWeight: 527.567843

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N1C(=NN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC)COC4=CC=CC=C4F

Isomeric SMILES

CC(COC)N1C(=NN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC)COC4=CC=CC=C4F

InChI

InChI=1S/C25H26FN5O5S/c1-15(12-34-2)31-21(13-36-20-11-7-4-8-16(20)26)29-30-25(31)37-14-19(32)22(24(33)35-3)23-27-17-9-5-6-10-18(17)28-23/h4-11,15,27-28H,12-14H2,1-3H3