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

Systemtic Name: ethyl 4-[2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4)C

InChI

InChI=1S/C24H27N3O4S/c1-4-31-23(30)21-14(2)20(15(3)25-21)19(28)13-32-24-26-18-12-8-7-11-17(18)22(29)27(24)16-9-5-6-10-16/h7-8,11-12,16,25H,4-6,9-10,13H2,1-3H3