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

Systemtic Name: 5-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetyl]amino]isophthalic acid Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H15N3O6S/c1-27-12-2-3-13-14(7-12)21-18(20-13)28-8-15(22)19-11-5-9(16(23)24)4-10(6-11)17(25)26/h2-7H,8H2,1H3,(H,19,22)(H,20,21)(H,23,24)(H,25,26)