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

Systemtic Name: [1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl heptanoate Openeye Name: [1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methyl heptanoate CAS Name: heptanoic acid [1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenyl]methyl ester IUPAC Name: [1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl heptanoate Traditional Name: enanthic acid [1-(2-diethylaminoethylamino)-9-keto-thioxanthen-4-yl]methyl ester Formula: C27H36N2O3S MolecularWeight: 468.65134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OCC1=C2C(=C(C=C1)NCCN(CC)CC)C(=O)C3=CC=CC=C3S2

Isomeric SMILES

CCCCCCC(=O)OCC1=C2C(=C(C=C1)NCCN(CC)CC)C(=O)C3=CC=CC=C3S2

InChI

InChI=1S/C27H36N2O3S/c1-4-7-8-9-14-24(30)32-19-20-15-16-22(28-17-18-29(5-2)6-3)25-26(31)21-12-10-11-13-23(21)33-27(20)25/h10-13,15-16,28H,4-9,14,17-19H2,1-3H3