prop-2-enyl (2Z)-5-(4-methoxyphenyl)-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: prop-2-enyl (2Z)-5-(4-methoxyphenyl)-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: allyl (2Z)-2-[[3-(4-isopentyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: (2Z)-5-(4-methoxyphenyl)-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 prop-2-enyl ester IUPAC Name: prop-2-enyl (2Z)-5-(4-methoxyphenyl)-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: (2Z)-2-[[3-(4-isoamoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-keto-5-(4-methoxyphenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid allyl ester Formula: C40H40N4O5S MolecularWeight: 688.8344

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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)OCC=C)C5=CC=C(C=C5)OC)C6=CC=CC=C6)OCCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C=C2/C=C\3/C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC=C)C5=CC=C(C=C5)OC)C6=CC=CC=C6)OCCC(C)C

InChI

InChI=1S/C40H40N4O5S/c1-7-20-49-39(46)35-27(5)41-40-44(37(35)28-13-16-32(47-6)17-14-28)38(45)34(50-40)23-30-24-43(31-11-9-8-10-12-31)42-36(30)29-15-18-33(26(4)22-29)48-21-19-25(2)3/h7-18,22-25,37H,1,19-21H2,2-6H3/b34-23-