[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C25H22N2O6S MolecularWeight: 478.51698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3)OC

InChI

InChI=1S/C25H22N2O6S/c1-30-18-11-17(12-19(13-18)31-2)26-23(28)14-32-24(29)20-8-4-3-7-16(20)15-34-25-27-21-9-5-6-10-22(21)33-25/h3-13H,14-15H2,1-2H3,(H,26,28)