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

Systemtic Name: methyl 4-[[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(1-ethyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(1-ethylbenzimidazol-2-yl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H21N3O3S/c1-3-23-17-7-5-4-6-16(17)22-20(23)27-13-18(24)21-12-14-8-10-15(11-9-14)19(25)26-2/h4-11H,3,12-13H2,1-2H3,(H,21,24)