(8-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (8-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl 4-methylbenzenesulfonate Openeye Name: (8-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (8-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl ester IUPAC Name: (8-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (8-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl ester Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CN(C3=C(O2)C(=CC=C3)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CN(C3=C(O2)C(=CC=C3)OC)C

InChI

InChI=1S/C18H21NO5S/c1-13-7-9-15(10-8-13)25(20,21)23-12-14-11-19(2)16-5-4-6-17(22-3)18(16)24-14/h4-10,14H,11-12H2,1-3H3