2-[5-cyano-2-[(3-methoxycarbonylphenyl)methylsulfanyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[5-cyano-2-[(3-methoxycarbonylphenyl)methylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[5-cyano-2-[(3-methoxycarbonylphenyl)methylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[5-cyano-2-[(3-methoxycarbonylphenyl)methylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[5-cyano-2-[(3-methoxycarbonylphenyl)methylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[(3-carbomethoxybenzyl)thio]-5-cyano-benzimidazol-1-yl]acetic acid Formula: C19H15N3O4S MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NC3=C(N2CC(=O)O)C=CC(=C3)C#N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NC3=C(N2CC(=O)O)C=CC(=C3)C#N

InChI

InChI=1S/C19H15N3O4S/c1-26-18(25)14-4-2-3-13(7-14)11-27-19-21-15-8-12(9-20)5-6-16(15)22(19)10-17(23)24/h2-8H,10-11H2,1H3,(H,23,24)