(4-methylsulfanylphenyl)methyl 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzoxazin-4-yl)propanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzoxazin-4-yl)propionic acid [4-(methylthio)benzyl] ester Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)CCN2C(=O)COC3=CC=CC=C32

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)CCN2C(=O)COC3=CC=CC=C32

InChI

InChI=1S/C19H19NO4S/c1-25-15-8-6-14(7-9-15)12-24-19(22)10-11-20-16-4-2-3-5-17(16)23-13-18(20)21/h2-9H,10-13H2,1H3