ethyl 7-methyl-5-(4-methylsulfanylphenyl)-3-oxidanylidene-2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 7-methyl-5-(4-methylsulfanylphenyl)-3-oxidanylidene-2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: ethyl 7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-2-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 7-methyl-5-[4-(methylthio)phenyl]-3-oxo-2-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylidene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 3-keto-7-methyl-5-[4-(methylthio)phenyl]-2-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C31H26N4O3S3 MolecularWeight: 598.75814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)SC)C(=O)C(=CC4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6)S2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)SC)C(=O)C(=CC4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6)S2)C

InChI

InChI=1S/C31H26N4O3S3/c1-4-38-30(37)26-19(2)32-31-35(28(26)20-12-14-23(39-3)15-13-20)29(36)25(41-31)17-21-18-34(22-9-6-5-7-10-22)33-27(21)24-11-8-16-40-24/h5-18,28H,4H2,1-3H3