methyl 2-[4-[(5-methoxy-2-sulfanylidene-3H-benzimidazol-1-yl)sulfonyl]-3,5-dimethyl-phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[(5-methoxy-2-sulfanylidene-3H-benzimidazol-1-yl)sulfonyl]-3,5-dimethyl-phenoxy]ethanoate Openeye Name: methyl 2-[4-[(5-methoxy-2-thioxo-3H-benzimidazol-1-yl)sulfonyl]-3,5-dimethyl-phenoxy]acetate CAS Name: 2-[4-[(5-methoxy-2-sulfanylidene-3H-benzimidazol-1-yl)sulfonyl]-3,5-dimethylphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(5-methoxy-2-sulfanylidene-3H-benzimidazol-1-yl)sulfonyl]-3,5-dimethylphenoxy]acetate Traditional Name: 2-[4-[(5-methoxy-2-thioxo-3H-benzimidazol-1-yl)sulfonyl]-3,5-dimethyl-phenoxy]acetic acid methyl ester Formula: C19H20N2O6S2 MolecularWeight: 436.5019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2C3=C(C=C(C=C3)OC)NC2=S)C)OCC(=O)OC

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2C3=C(C=C(C=C3)OC)NC2=S)C)OCC(=O)OC

InChI

InChI=1S/C19H20N2O6S2/c1-11-7-14(27-10-17(22)26-4)8-12(2)18(11)29(23,24)21-16-6-5-13(25-3)9-15(16)20-19(21)28/h5-9H,10H2,1-4H3,(H,20,28)