3-oxidanylidene-4-[[6-(phenylmethyl)-1H-benzimidazol-2-yl]sulfanyl]butanoic acid

Systemtic Name: 3-oxidanylidene-4-[[6-(phenylmethyl)-1H-benzimidazol-2-yl]sulfanyl]butanoic acid Openeye Name: 4-[(6-benzyl-1H-benzimidazol-2-yl)sulfanyl]-3-oxo-butanoic acid CAS Name: 3-oxo-4-[[6-(phenylmethyl)-1H-benzimidazol-2-yl]thio]butanoic acid IUPAC Name: 4-[(6-benzyl-1H-benzimidazol-2-yl)sulfanyl]-3-oxobutanoic acid Traditional Name: 4-[(6-benzyl-1H-benzimidazol-2-yl)thio]-3-keto-butyric acid Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC3=C(C=C2)N=C(N3)SCC(=O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC3=C(C=C2)N=C(N3)SCC(=O)CC(=O)O

InChI

InChI=1S/C18H16N2O3S/c21-14(10-17(22)23)11-24-18-19-15-7-6-13(9-16(15)20-18)8-12-4-2-1-3-5-12/h1-7,9H,8,10-11H2,(H,19,20)(H,22,23)