methyl 2-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylidene]-7-methyl-3-oxidanylidene-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Systemtic Name: methyl 2-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylidene]-7-methyl-3-oxidanylidene-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]methylene]-7-methyl-3-oxo-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 2-[[4-(2-hydroxyethylthio)-3-nitrophenyl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 2-[4-(2-hydroxyethylthio)-3-nitro-benzylidene]-3-keto-7-methyl-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester Formula: C24H21N3O6S2 MolecularWeight: 511.57004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)SCCO)[N+](=O)[O-])SC2=N1)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)SCCO)[N+](=O)[O-])SC2=N1)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C24H21N3O6S2/c1-14-20(23(30)33-2)21(16-6-4-3-5-7-16)26-22(29)19(35-24(26)25-14)13-15-8-9-18(34-11-10-28)17(12-15)27(31)32/h3-9,12-13,21,28H,10-11H2,1-2H3