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

Systemtic Name: methyl 4-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H21N3O4S/c1-26-12-11-23-17-6-4-3-5-16(17)22-20(23)28-13-18(24)21-15-9-7-14(8-10-15)19(25)27-2/h3-10H,11-13H2,1-2H3,(H,21,24)