methyl 2-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]benzoate

Systemtic Name: methyl 2-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]benzoate Openeye Name: methyl 2-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]benzoate CAS Name: 2-[[3-(1H-benzimidazol-2-ylthio)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]benzoate Traditional Name: 2-[3-(1H-benzimidazol-2-ylthio)propanoylamino]benzoic acid methyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CCSC2=NC3=CC=CC=C3N2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCSC2=NC3=CC=CC=C3N2

InChI

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