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

Systemtic Name: methyl 4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]benzoic acid methyl ester Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S/c1-23-16(22)11-6-8-12(9-7-11)18-15(21)10-24-17-19-13-4-2-3-5-14(13)20-17/h2-9H,10H2,1H3,(H,18,21)(H,19,20)