ethyl (2Z)-2-[(3-iodanyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene]-7-methyl-3-oxidanylidene-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl (2Z)-2-[(3-iodanyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene]-7-methyl-3-oxidanylidene-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: ethyl (2Z)-2-[(4-benzyloxy-3-iodo-5-methoxy-phenyl)methylene]-7-methyl-3-oxo-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: (2Z)-2-[(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl (2Z)-2-[(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: (2Z)-2-(4-benzoxy-3-iodo-5-methoxy-benzylidene)-3-keto-7-methyl-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C31H27IN2O5S MolecularWeight: 666.52595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=CC(=C(C(=C4)I)OCC5=CC=CC=C5)OC)S2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)/C(=C/C4=CC(=C(C(=C4)I)OCC5=CC=CC=C5)OC)/S2)C

InChI

InChI=1S/C31H27IN2O5S/c1-4-38-30(36)26-19(2)33-31-34(27(26)22-13-9-6-10-14-22)29(35)25(40-31)17-21-15-23(32)28(24(16-21)37-3)39-18-20-11-7-5-8-12-20/h5-17,27H,4,18H2,1-3H3/b25-17-