2-[carboxymethyl-[4-(2-sulfanylidene-3H-benzimidazol-1-yl)phenyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[4-(2-sulfanylidene-3H-benzimidazol-1-yl)phenyl]amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-4-(2-thioxo-3H-benzimidazol-1-yl)anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-4-(2-sulfanylidene-3H-benzimidazol-1-yl)anilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-4-(2-sulfanylidene-3H-benzimidazol-1-yl)anilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-4-(2-thioxo-3H-benzimidazol-1-yl)anilino]acetic acid Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=S)N2C3=CC=C(C=C3)N(CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=S)N2C3=CC=C(C=C3)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C17H15N3O4S/c21-15(22)9-19(10-16(23)24)11-5-7-12(8-6-11)20-14-4-2-1-3-13(14)18-17(20)25/h1-8H,9-10H2,(H,18,25)(H,21,22)(H,23,24)