3-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-[(6-chloro-1H-benzimidazol-2-yl)thio]acetyl]amino]-4-methyl-benzoic acid Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl

InChI

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