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ethyl 2-[3,6-bis(diethylamino)-9H-thioxanthen-9-yl]benzoate

ethyl 2-[3,6-bis(diethylamino)-9H-thioxanthen-9-yl]benzoate

Systemtic Name:ethyl 2-[3,6-bis(diethylamino)-9H-thioxanthen-9-yl]benzoate
Openeye Name:ethyl 2-[3,6-bis(diethylamino)-9H-thioxanthen-9-yl]benzoate
CAS Name:2-[3,6-bis(diethylamino)-9H-thioxanthen-9-yl]benzoic acid ethyl ester
IUPAC Name:ethyl 2-[3,6-bis(diethylamino)-9H-thioxanthen-9-yl]benzoate
Traditional Name:2-[3,6-bis(diethylamino)-9H-thioxanthen-9-yl]benzoic acid ethyl ester
Formula: C30H36N2O2S
MolecularWeight: 488.68404
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(C3=C(S2)C=C(C=C3)N(CC)CC)C4=CC=CC=C4C(=O)OCC


Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(C3=C(S2)C=C(C=C3)N(CC)CC)C4=CC=CC=C4C(=O)OCC


InChI

InChI=1S/C30H36N2O2S/c1-6-31(7-2)21-15-17-25-27(19-21)35-28-20-22(32(8-3)9-4)16-18-26(28)29(25)23-13-11-12-14-24(23)30(33)34-10-5/h11-20,29H,6-10H2,1-5H3


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