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

Systemtic Name: 2-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-[[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-[[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)thio]acetyl]amino]benzoic acid Formula: C18H17N3O3S MolecularWeight: 355.41088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)SCC(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)SCC(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H17N3O3S/c1-10-7-14-15(8-11(10)2)21-18(20-14)25-9-16(22)19-13-6-4-3-5-12(13)17(23)24/h3-8H,9H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)