2-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl-methyl-amino]benzoic acid

Systemtic Name: 2-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl-methyl-amino]benzoic acid Openeye Name: 2-[[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]-methyl-amino]benzoic acid CAS Name: 2-[[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-methylamino]benzoic acid IUPAC Name: 2-[[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]-methylamino]benzoic acid Traditional Name: 2-[[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)thio]acetyl]-methyl-amino]benzoic acid Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)SCC(=O)N(C)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)SCC(=O)N(C)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H19N3O3S/c1-11-8-14-15(9-12(11)2)21-19(20-14)26-10-17(23)22(3)16-7-5-4-6-13(16)18(24)25/h4-9H,10H2,1-3H3,(H,20,21)(H,24,25)