ethyl 5-methyl-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-7-propyl-7H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-7-propyl-7H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-[(3-nitrophenyl)methylene]-3-oxo-7-propyl-7H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-7-propyl-7H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-7-propyl-7H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 3-keto-5-methyl-2-(3-nitrobenzylidene)-7-propyl-7H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=C(N2C(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])SC2=N1)C)C(=O)OCC

Isomeric SMILES

CCCC1C(=C(N2C(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])SC2=N1)C)C(=O)OCC

InChI

InChI=1S/C20H21N3O5S/c1-4-7-15-17(19(25)28-5-2)12(3)22-18(24)16(29-20(22)21-15)11-13-8-6-9-14(10-13)23(26)27/h6,8-11,15H,4-5,7H2,1-3H3