[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzoxazol-2-yl)propanoate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzoxazol-2-yl)propanoate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] 3-(1,3-benzoxazol-2-yl)propanoate CAS Name: 3-(1,3-benzoxazol-2-yl)propanoic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate Traditional Name: 3-(1,3-benzoxazol-2-yl)propionic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3O2

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C19H18N2O6S/c1-28(24,25)14-6-4-5-13(11-14)20-17(22)12-26-19(23)10-9-18-21-15-7-2-3-8-16(15)27-18/h2-8,11H,9-10,12H2,1H3,(H,20,22)