ethyl 3-[(4-dimethylaminophenyl)methylidene]-7-(4-methoxyphenyl)-2-oxidanylidene-4-sulfanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate

Systemtic Name: ethyl 3-[(4-dimethylaminophenyl)methylidene]-7-(4-methoxyphenyl)-2-oxidanylidene-4-sulfanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Openeye Name: ethyl 3-[(4-dimethylaminophenyl)methylene]-7-(4-methoxyphenyl)-2-oxo-4-thioxo-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate CAS Name: 3-[(4-dimethylaminophenyl)methylidene]-7-(4-methoxyphenyl)-2-oxo-4-sulfanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-dimethylaminophenyl)methylidene]-7-(4-methoxyphenyl)-2-oxo-4-sulfanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Traditional Name: 3-[4-(dimethylamino)benzylidene]-2-keto-7-(4-methoxyphenyl)-4-thioxo-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid ethyl ester Formula: C26H25N3O4S MolecularWeight: 475.5594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2NC(=O)C(=CC3=CC=C(C=C3)N(C)C)C(=S)N2C=C1C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=C2NC(=O)C(=CC3=CC=C(C=C3)N(C)C)C(=S)N2C=C1C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H25N3O4S/c1-5-33-26(31)22-21(17-8-12-19(32-4)13-9-17)15-29-23(22)27-24(30)20(25(29)34)14-16-6-10-18(11-7-16)28(2)3/h6-15H,5H2,1-4H3,(H,27,30)