2-[(6-aminocarbonyl-1H-benzimidazol-2-yl)sulfanylmethyl]butanedioic acid

Systemtic Name: 2-[(6-aminocarbonyl-1H-benzimidazol-2-yl)sulfanylmethyl]butanedioic acid Openeye Name: 2-[(6-carbamoyl-1H-benzimidazol-2-yl)sulfanylmethyl]butanedioic acid CAS Name: 2-[[(6-carbamoyl-1H-benzimidazol-2-yl)thio]methyl]butanedioic acid IUPAC Name: 2-[(6-carbamoyl-1H-benzimidazol-2-yl)sulfanylmethyl]butanedioic acid Traditional Name: 2-[[(6-carbamoyl-1H-benzimidazol-2-yl)thio]methyl]succinic acid Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)N)NC(=N2)SCC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(=O)N)NC(=N2)SCC(CC(=O)O)C(=O)O

InChI

InChI=1S/C13H13N3O5S/c14-11(19)6-1-2-8-9(3-6)16-13(15-8)22-5-7(12(20)21)4-10(17)18/h1-3,7H,4-5H2,(H2,14,19)(H,15,16)(H,17,18)(H,20,21)