(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (3-oxidanylidene-4H-1,4-benzoxazin-7-yl)methyl 4-methylbenzenesulfonate Openeye Name: (3-oxo-4H-1,4-benzoxazin-7-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-oxo-4H-1,4-benzoxazin-7-yl)methyl ester IUPAC Name: (3-oxo-4H-1,4-benzoxazin-7-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-keto-4H-1,4-benzoxazin-7-yl)methyl ester Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC3=C(C=C2)NC(=O)CO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC3=C(C=C2)NC(=O)CO3

InChI

InChI=1S/C16H15NO5S/c1-11-2-5-13(6-3-11)23(19,20)22-9-12-4-7-14-15(8-12)21-10-16(18)17-14/h2-8H,9-10H2,1H3,(H,17,18)