methyl 2-[[4-(4-chlorophenyl)sulfanyl-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-(4-chlorophenyl)sulfanyl-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-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylene]-7-methyl-3-oxo-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 2-[[4-[(4-chlorophenyl)thio]-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-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 2-[4-[(4-chlorophenyl)thio]-3-nitro-benzylidene]-3-keto-7-methyl-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester Formula: C28H20ClN3O5S2 MolecularWeight: 578.0585

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-])SC2=N1)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-])SC2=N1)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C28H20ClN3O5S2/c1-16-24(27(34)37-2)25(18-6-4-3-5-7-18)31-26(33)23(39-28(31)30-16)15-17-8-13-22(21(14-17)32(35)36)38-20-11-9-19(29)10-12-20/h3-15,25H,1-2H3