[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 2-(1-benzylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[[1-(phenylmethyl)-2-benzimidazolyl]thio]acetic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-(1-benzylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-benzylbenzimidazol-2-yl)thio]acetic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O3S2/c1-32-20-11-7-10-19(14-20)26-23(29)16-31-24(30)17-33-25-27-21-12-5-6-13-22(21)28(25)15-18-8-3-2-4-9-18/h2-14H,15-17H2,1H3,(H,26,29)