(4-methylsulfanylphenyl)methyl 3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-2-methyl-1,4-benzoxazin-4-yl)propionic acid [4-(methylthio)benzyl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC3=CC=C(C=C3)SC

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H21NO4S/c1-14-20(23)21(17-5-3-4-6-18(17)25-14)12-11-19(22)24-13-15-7-9-16(26-2)10-8-15/h3-10,14H,11-13H2,1-2H3