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

Systemtic Name: methyl 5-(4-methoxycarbonylphenyl)-7-methyl-2-[[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[3-(4-isopentyloxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 5-(4-methoxycarbonylphenyl)-7-methyl-2-[[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-methoxycarbonylphenyl)-7-methyl-2-[[3-[4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 5-(4-carbomethoxyphenyl)-2-[[3-(4-isoamoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester Formula: C38H36N4O6S MolecularWeight: 676.78064

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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)C(=O)OC)C(=O)OC

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)C(=O)OC)C(=O)OC

InChI

InChI=1S/C38H36N4O6S/c1-23(2)19-20-48-30-17-15-25(16-18-30)33-28(22-41(40-33)29-9-7-6-8-10-29)21-31-35(43)42-34(26-11-13-27(14-12-26)36(44)46-4)32(37(45)47-5)24(3)39-38(42)49-31/h6-18,21-23,34H,19-20H2,1-5H3