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

Systemtic Name: [1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl 2,2-dimethylpropanoate Openeye Name: [1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenyl]methyl ester IUPAC Name: [1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [1-(2-diethylaminoethylamino)-9-keto-thioxanthen-4-yl]methyl ester Formula: C25H32N2O3S MolecularWeight: 440.59818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O3S/c1-6-27(7-2)15-14-26-19-13-12-17(16-30-24(29)25(3,4)5)23-21(19)22(28)18-10-8-9-11-20(18)31-23/h8-13,26H,6-7,14-16H2,1-5H3