[1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl methanesulfonate

Systemtic Name: [1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl methanesulfonate Openeye Name: [1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenyl]methyl ester IUPAC Name: [1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [1-(2-diethylaminoethylamino)-9-keto-thioxanthen-4-yl]methyl ester Formula: C21H26N2O4S2 MolecularWeight: 434.57214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)COS(=O)(=O)C)SC3=CC=CC=C3C2=O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)COS(=O)(=O)C)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H26N2O4S2/c1-4-23(5-2)13-12-22-17-11-10-15(14-27-29(3,25)26)21-19(17)20(24)16-8-6-7-9-18(16)28-21/h6-11,22H,4-5,12-14H2,1-3H3