methyl 4-[2-[5-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[5-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[5-chloro-1-(2-methoxyethyl)-2-benzimidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C20H20ClN3O4S MolecularWeight: 433.9085

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H20ClN3O4S/c1-27-10-9-24-17-8-5-14(21)11-16(17)23-20(24)29-12-18(25)22-15-6-3-13(4-7-15)19(26)28-2/h3-8,11H,9-10,12H2,1-2H3,(H,22,25)