ethyl (2E,5R)-5-(1,3-benzodioxol-5-yl)-2-[[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methylidene]-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl (2E,5R)-5-(1,3-benzodioxol-5-yl)-2-[[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methylidene]-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: ethyl (2E,5R)-5-(1,3-benzodioxol-5-yl)-2-[[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methylene]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: (2E,5R)-5-(1,3-benzodioxol-5-yl)-2-[[2,5-dimethyl-1-(4-phenylphenyl)-3-pyrrolyl]methylidene]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl (2E,5R)-5-(1,3-benzodioxol-5-yl)-2-[[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: (2E,5R)-5-(1,3-benzodioxol-5-yl)-2-[[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methylene]-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C36H31N3O5S MolecularWeight: 617.71344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=C(N(C(=C5)C)C6=CC=C(C=C6)C7=CC=CC=C7)C)S2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2N([C@@H]1C3=CC4=C(C=C3)OCO4)C(=O)/C(=C\C5=C(N(C(=C5)C)C6=CC=C(C=C6)C7=CC=CC=C7)C)/S2)C

InChI

InChI=1S/C36H31N3O5S/c1-5-42-35(41)32-22(3)37-36-39(33(32)26-13-16-29-30(18-26)44-20-43-29)34(40)31(45-36)19-27-17-21(2)38(23(27)4)28-14-11-25(12-15-28)24-9-7-6-8-10-24/h6-19,33H,5,20H2,1-4H3/b31-19+/t33-/m1/s1