methyl 4-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[2-[(methylthio)methyl]-1-benzimidazolyl]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetyl]amino]methyl]benzoic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2C3=CC=CC=C3N=C2CSC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2C3=CC=CC=C3N=C2CSC

InChI

InChI=1S/C20H21N3O3S/c1-26-20(25)15-9-7-14(8-10-15)11-21-19(24)12-23-17-6-4-3-5-16(17)22-18(23)13-27-2/h3-10H,11-13H2,1-2H3,(H,21,24)