[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl] ester Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C20H19NO5S/c1-13-2-5-15(6-3-13)27-9-8-20(24)26-11-17(22)14-4-7-18-16(10-14)21-19(23)12-25-18/h2-7,10H,8-9,11-12H2,1H3,(H,21,23)