ethyl 4-[2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C27H27N3O4S MolecularWeight: 489.58598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(NC(=C4C(=O)OCC)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(NC(=C4C(=O)OCC)C)C

InChI

InChI=1S/C27H27N3O4S/c1-5-18-11-13-19(14-12-18)30-25(32)20-9-7-8-10-21(20)29-27(30)35-15-22(31)23-16(3)28-17(4)24(23)26(33)34-6-2/h7-14,28H,5-6,15H2,1-4H3