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

Systemtic Name: [1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl ethanoate Openeye Name: [1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methyl acetate CAS Name: acetic acid [1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenyl]methyl ester IUPAC Name: [1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl acetate Traditional Name: acetic acid [1-(2-diethylaminoethylamino)-9-keto-thioxanthen-4-yl]methyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S/c1-4-24(5-2)13-12-23-18-11-10-16(14-27-15(3)25)22-20(18)21(26)17-8-6-7-9-19(17)28-22/h6-11,23H,4-5,12-14H2,1-3H3