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

Systemtic Name: 2-[(6-ethoxycarbonyl-1H-benzimidazol-2-yl)sulfanylmethyl]butanedioic acid Openeye Name: 2-[(6-ethoxycarbonyl-1H-benzimidazol-2-yl)sulfanylmethyl]butanedioic acid CAS Name: 2-[[(6-ethoxycarbonyl-1H-benzimidazol-2-yl)thio]methyl]butanedioic acid IUPAC Name: 2-[(6-ethoxycarbonyl-1H-benzimidazol-2-yl)sulfanylmethyl]butanedioic acid Traditional Name: 2-[[(6-carbethoxy-1H-benzimidazol-2-yl)thio]methyl]succinic acid Formula: C15H16N2O6S MolecularWeight: 352.36234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N2)SCC(CC(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N2)SCC(CC(=O)O)C(=O)O

InChI

InChI=1S/C15H16N2O6S/c1-2-23-14(22)8-3-4-10-11(5-8)17-15(16-10)24-7-9(13(20)21)6-12(18)19/h3-5,9H,2,6-7H2,1H3,(H,16,17)(H,18,19)(H,20,21)