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

Systemtic Name: propan-2-yl 5-(2-chlorophenyl)-7-methyl-2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylidene]-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: isopropyl 5-(2-chlorophenyl)-7-methyl-2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylene]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 5-(2-chlorophenyl)-7-methyl-2-[[3-nitro-4-(1-pyrrolidinyl)phenyl]methylidene]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-(2-chlorophenyl)-7-methyl-2-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 5-(2-chlorophenyl)-3-keto-7-methyl-2-(3-nitro-4-pyrrolidino-benzylidene)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid isopropyl ester Formula: C28H27ClN4O5S MolecularWeight: 567.05578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])SC2=N1)C5=CC=CC=C5Cl)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])SC2=N1)C5=CC=CC=C5Cl)C(=O)OC(C)C

InChI

InChI=1S/C28H27ClN4O5S/c1-16(2)38-27(35)24-17(3)30-28-32(25(24)19-8-4-5-9-20(19)29)26(34)23(39-28)15-18-10-11-21(22(14-18)33(36)37)31-12-6-7-13-31/h4-5,8-11,14-16,25H,6-7,12-13H2,1-3H3