methyl 4-[[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]methyl]benzoic acid methyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H17N3O3S/c1-24-17(23)13-8-6-12(7-9-13)10-19-16(22)11-25-18-20-14-4-2-3-5-15(14)21-18/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21)