2-methylpropyl 2-cinnamylidene-7-methyl-5-(4-methylsulfanylphenyl)-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Systemtic Name: 2-methylpropyl 2-cinnamylidene-7-methyl-5-(4-methylsulfanylphenyl)-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: isobutyl 2-cinnamylidene-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 2-cinnamylidene-7-methyl-5-[4-(methylthio)phenyl]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-cinnamylidene-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 2-cinnamylidene-3-keto-7-methyl-5-[4-(methylthio)phenyl]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid isobutyl ester Formula: C28H28N2O3S2 MolecularWeight: 504.66352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=O)C(=CC=CC3=CC=CC=C3)SC2=N1)C4=CC=C(C=C4)SC)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(N2C(=O)C(=CC=CC3=CC=CC=C3)SC2=N1)C4=CC=C(C=C4)SC)C(=O)OCC(C)C

InChI

InChI=1S/C28H28N2O3S2/c1-18(2)17-33-27(32)24-19(3)29-28-30(25(24)21-13-15-22(34-4)16-14-21)26(31)23(35-28)12-8-11-20-9-6-5-7-10-20/h5-16,18,25H,17H2,1-4H3