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

Systemtic Name: prop-2-enyl 7-methyl-2-[[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-5-(4-methylsulfanylphenyl)-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: allyl 2-[[3-(4-isopentyloxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 7-methyl-2-[[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-5-[4-(methylthio)phenyl]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 7-methyl-2-[[3-[4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 2-[[3-(4-isoamoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-keto-7-methyl-5-[4-(methylthio)phenyl]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid allyl ester Formula: C39H38N4O4S2 MolecularWeight: 690.87342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)OCCC(C)C)C5=CC=CC=C5)SC2=N1)C6=CC=C(C=C6)SC)C(=O)OCC=C

Isomeric SMILES

CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)OCCC(C)C)C5=CC=CC=C5)SC2=N1)C6=CC=C(C=C6)SC)C(=O)OCC=C

InChI

InChI=1S/C39H38N4O4S2/c1-6-21-47-38(45)34-26(4)40-39-43(36(34)28-14-18-32(48-5)19-15-28)37(44)33(49-39)23-29-24-42(30-10-8-7-9-11-30)41-35(29)27-12-16-31(17-13-27)46-22-20-25(2)3/h6-19,23-25,36H,1,20-22H2,2-5H3