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

Systemtic Name: methyl 2-[(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-7-methyl-3-oxidanylidene-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: methyl 2-[(3-iodo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-7-methyl-3-oxo-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 2-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 2-(3-iodo-5-methoxy-4-propargyloxy-benzylidene)-3-keto-7-methyl-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester Formula: C26H21IN2O5S MolecularWeight: 600.42481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=O)C(=CC3=CC(=C(C(=C3)I)OCC#C)OC)SC2=N1)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(N2C(=O)C(=CC3=CC(=C(C(=C3)I)OCC#C)OC)SC2=N1)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H21IN2O5S/c1-5-11-34-23-18(27)12-16(13-19(23)32-3)14-20-24(30)29-22(17-9-7-6-8-10-17)21(25(31)33-4)15(2)28-26(29)35-20/h1,6-10,12-14,22H,11H2,2-4H3