methyl 2-[2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[1-(4-ethoxyphenyl)-2-benzimidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-p-phenetylbenzimidazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C25H23N3O4S/c1-3-32-18-14-12-17(13-15-18)28-22-11-7-6-10-21(22)27-25(28)33-16-23(29)26-20-9-5-4-8-19(20)24(30)31-2/h4-15H,3,16H2,1-2H3,(H,26,29)