[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzoxazin-4-yl)propanoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzoxazin-4-yl)propionic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)CCN2C(=O)COC3=CC=CC=C32

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)CCN2C(=O)COC3=CC=CC=C32

InChI

InChI=1S/C20H20N2O5S/c1-28-17-9-5-2-6-14(17)21-18(23)12-27-20(25)10-11-22-15-7-3-4-8-16(15)26-13-19(22)24/h2-9H,10-13H2,1H3,(H,21,23)