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

Systemtic Name: ethyl (2E,5R)-2-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-5-(4-dimethylaminophenyl)-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: ethyl (2E,5R)-2-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-(4-dimethylaminophenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: (2E,5R)-2-[[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-5-(4-dimethylaminophenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl (2E,5R)-2-[[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-(4-dimethylaminophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: (2E,5R)-2-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-(4-dimethylaminophenyl)-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C31H31BrN4O3S MolecularWeight: 619.57184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(N=C2N([C@@H]1C3=CC=C(C=C3)N(C)C)C(=O)/C(=C\C4=C(N(C(=C4)C)C5=CC=C(C=C5)Br)C)/S2)C

InChI

InChI=1S/C31H31BrN4O3S/c1-7-39-30(38)27-19(3)33-31-36(28(27)21-8-12-24(13-9-21)34(5)6)29(37)26(40-31)17-22-16-18(2)35(20(22)4)25-14-10-23(32)11-15-25/h8-17,28H,7H2,1-6H3/b26-17+/t28-/m1/s1