propan-2-yl 5-(4-chlorophenyl)-7-methyl-3-oxidanylidene-2-[(3-propoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Systemtic Name: propan-2-yl 5-(4-chlorophenyl)-7-methyl-3-oxidanylidene-2-[(3-propoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: isopropyl 5-(4-chlorophenyl)-7-methyl-3-oxo-2-[(3-propoxyphenyl)methylene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 5-(4-chlorophenyl)-7-methyl-3-oxo-2-[(3-propoxyphenyl)methylidene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-(4-chlorophenyl)-7-methyl-3-oxo-2-[(3-propoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 5-(4-chlorophenyl)-3-keto-7-methyl-2-(3-propoxybenzylidene)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid isopropyl ester Formula: C27H27ClN2O4S MolecularWeight: 511.03228

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC(C)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCOC1=CC=CC(=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC(C)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H27ClN2O4S/c1-5-13-33-21-8-6-7-18(14-21)15-22-25(31)30-24(19-9-11-20(28)12-10-19)23(26(32)34-16(2)3)17(4)29-27(30)35-22/h6-12,14-16,24H,5,13H2,1-4H3