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

Systemtic Name: (phenylmethyl) 2-cinnamylidene-7-methyl-5-(4-methylsulfanylphenyl)-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C31H26N2O3S2 MolecularWeight: 538.67974

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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)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(N2C(=O)C(=CC=CC3=CC=CC=C3)SC2=N1)C4=CC=C(C=C4)SC)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H26N2O3S2/c1-21-27(30(35)36-20-23-12-7-4-8-13-23)28(24-16-18-25(37-2)19-17-24)33-29(34)26(38-31(33)32-21)15-9-14-22-10-5-3-6-11-22/h3-19,28H,20H2,1-2H3