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

Systemtic Name: (phenylmethyl) 5-(4-methoxycarbonylphenyl)-7-methyl-2-[[3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: benzyl 2-[[3-(4-isopentyloxy-3-methyl-phenyl)-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-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(4-methoxycarbonylphenyl)-7-methyl-2-[[3-[3-methyl-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-isoamoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid benzyl ester Formula: C45H42N4O6S MolecularWeight: 766.90318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC5=CC=CC=C5)C6=CC=C(C=C6)C(=O)OC)C7=CC=CC=C7)OCCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC5=CC=CC=C5)C6=CC=C(C=C6)C(=O)OC)C7=CC=CC=C7)OCCC(C)C

InChI

InChI=1S/C45H42N4O6S/c1-28(2)22-23-54-37-21-20-34(24-29(37)3)40-35(26-48(47-40)36-14-10-7-11-15-36)25-38-42(50)49-41(32-16-18-33(19-17-32)43(51)53-5)39(30(4)46-45(49)56-38)44(52)55-27-31-12-8-6-9-13-31/h6-21,24-26,28,41H,22-23,27H2,1-5H3