5-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetyl]amino]isophthalic acid Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5S/c1-9-2-3-13-14(4-9)21-18(20-13)27-8-15(22)19-12-6-10(16(23)24)5-11(7-12)17(25)26/h2-7H,8H2,1H3,(H,19,22)(H,20,21)(H,23,24)(H,25,26)