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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H15N3O3S/c21-15(18-9-11-5-7-12(8-6-11)16(22)23)10-24-17-19-13-3-1-2-4-14(13)20-17/h1-8H,9-10H2,(H,18,21)(H,19,20)(H,22,23)