2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-2-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: 2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-2-ylmethyl 4-methylbenzenesulfonate Openeye Name: 2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-2-ylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-2-ylmethyl ester IUPAC Name: 2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-2-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-2-ylmethyl ester Formula: C18H16N2O5S MolecularWeight: 372.39504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)C4=CN=CN=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)C4=CN=CN=C4C=C3

InChI

InChI=1S/C18H16N2O5S/c1-12-2-4-14(5-3-12)26(21,22)24-10-13-9-23-17-7-6-16-15(18(17)25-13)8-19-11-20-16/h2-8,11,13H,9-10H2,1H3