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

Systemtic Name: methyl 4-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-[(methylthio)methyl]-1-benzimidazolyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3S/c1-25-19(24)13-7-9-14(10-8-13)20-18(23)11-22-16-6-4-3-5-15(16)21-17(22)12-26-2/h3-10H,11-12H2,1-2H3,(H,20,23)