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

Systemtic Name: methyl 2-ethyl-5-(4-iodophenyl)-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: methyl 2-ethyl-5-(4-iodophenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 2-ethyl-5-(4-iodophenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-5-(4-iodophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 2-ethyl-5-(4-iodophenyl)-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester Formula: C17H17IN2O3S MolecularWeight: 456.29795

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OC)C3=CC=C(C=C3)I

Isomeric SMILES

CCC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OC)C3=CC=C(C=C3)I

InChI

InChI=1S/C17H17IN2O3S/c1-4-12-15(21)20-14(10-5-7-11(18)8-6-10)13(16(22)23-3)9(2)19-17(20)24-12/h5-8,12,14H,4H2,1-3H3