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

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)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-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S/c1-13-3-5-16(9-14(13)2)28-8-7-21(25)27-11-18(23)15-4-6-19-17(10-15)22-20(24)12-26-19/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,22,24)