ethyl 4-[5-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-7-oxidanylidene-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]benzoate

Systemtic Name: ethyl 4-[5-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-7-oxidanylidene-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]benzoate Openeye Name: ethyl 4-[5-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-7-oxo-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-3-yl]benzoate CAS Name: 4-[5-[[2-(diethylamino)-2-oxoethyl]thio]-7-oxo-6-phenyl-2-sulfanylidene-3-thiazolo[4,5-d]pyrimidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-7-oxo-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl]benzoate Traditional Name: 4-[5-[[2-(diethylamino)-2-keto-ethyl]thio]-7-keto-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-3-yl]benzoic acid ethyl ester Formula: C26H26N4O4S3 MolecularWeight: 554.70404

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3)SC(=S)N2C4=CC=C(C=C4)C(=O)OCC

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3)SC(=S)N2C4=CC=C(C=C4)C(=O)OCC

InChI

InChI=1S/C26H26N4O4S3/c1-4-28(5-2)20(31)16-36-25-27-22-21(23(32)30(25)18-10-8-7-9-11-18)37-26(35)29(22)19-14-12-17(13-15-19)24(33)34-6-3/h7-15H,4-6,16H2,1-3H3