3-[5-[[5-(4-chlorophenyl)-6-(2-methoxyethoxycarbonyl)-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]furan-2-yl]benzoic acid

Systemtic Name: 3-[5-[[5-(4-chlorophenyl)-6-(2-methoxyethoxycarbonyl)-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[[5-(4-chlorophenyl)-6-(2-methoxyethoxycarbonyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]-2-furyl]benzoic acid CAS Name: 3-[5-[[5-(4-chlorophenyl)-6-[2-methoxyethoxy(oxo)methyl]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[[5-(4-chlorophenyl)-6-(2-methoxyethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[[5-(4-chlorophenyl)-3-keto-6-(2-methoxyethoxycarbonyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]-2-furyl]benzoic acid Formula: C29H23ClN2O7S MolecularWeight: 579.02012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)SC2=N1)C5=CC=C(C=C5)Cl)C(=O)OCCOC

Isomeric SMILES

CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)SC2=N1)C5=CC=C(C=C5)Cl)C(=O)OCCOC

InChI

InChI=1S/C29H23ClN2O7S/c1-16-24(28(36)38-13-12-37-2)25(17-6-8-20(30)9-7-17)32-26(33)23(40-29(32)31-16)15-21-10-11-22(39-21)18-4-3-5-19(14-18)27(34)35/h3-11,14-15,25H,12-13H2,1-2H3,(H,34,35)