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

Systemtic Name: methyl 2-[(3-chloranyl-4,5-diethoxy-phenyl)methylidene]-7-methyl-3-oxidanylidene-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: methyl 2-[(3-chloro-4,5-diethoxy-phenyl)methylene]-7-methyl-3-oxo-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 2-[(3-chloro-4,5-diethoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-chloro-4,5-diethoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 2-(3-chloro-4,5-diethoxy-benzylidene)-3-keto-7-methyl-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester Formula: C26H25ClN2O5S MolecularWeight: 513.0051

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC)C4=CC=CC=C4)Cl)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC)C4=CC=CC=C4)Cl)OCC

InChI

InChI=1S/C26H25ClN2O5S/c1-5-33-19-13-16(12-18(27)23(19)34-6-2)14-20-24(30)29-22(17-10-8-7-9-11-17)21(25(31)32-4)15(3)28-26(29)35-20/h7-14,22H,5-6H2,1-4H3