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

Systemtic Name: methyl 4-[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COCCN1C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H23N3O4S/c1-27-12-11-24-18-6-4-3-5-17(18)23-21(24)29-14-19(25)22-13-15-7-9-16(10-8-15)20(26)28-2/h3-10H,11-14H2,1-2H3,(H,22,25)