2-(4-chlorophenyl)sulfanylethyl 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzoxazin-4-yl)propanoic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzoxazin-4-yl)propionic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C19H18ClNO4S MolecularWeight: 391.86852

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClNO4S/c20-14-5-7-15(8-6-14)26-12-11-24-19(23)9-10-21-16-3-1-2-4-17(16)25-13-18(21)22/h1-8H,9-13H2