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

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate CAS Name: (2R)-2-[(4-chlorophenyl)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] (2R)-2-(4-chlorophenyl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-chlorophenyl)thio]propionic acid [2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl] ester Formula: C19H16ClNO5S MolecularWeight: 405.85204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H](C(=O)OCC(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H16ClNO5S/c1-11(27-14-5-3-13(20)4-6-14)19(24)26-9-16(22)12-2-7-17-15(8-12)21-18(23)10-25-17/h2-8,11H,9-10H2,1H3,(H,21,23)/t11-/m1/s1