5-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]isophthalic acid Formula: C17H13N3O5S MolecularWeight: 371.36722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C17H13N3O5S/c21-14(8-26-17-19-12-3-1-2-4-13(12)20-17)18-11-6-9(15(22)23)5-10(7-11)16(24)25/h1-7H,8H2,(H,18,21)(H,19,20)(H,22,23)(H,24,25)