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

Systemtic Name: 2-chloranyl-5-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetyl]amino]benzoic acid Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C17H14ClN3O3S/c1-9-2-5-13-14(6-9)21-17(20-13)25-8-15(22)19-10-3-4-12(18)11(7-10)16(23)24/h2-7H,8H2,1H3,(H,19,22)(H,20,21)(H,23,24)