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

Systemtic Name: ethyl 2,5-dimethyl-4-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[1-oxo-2-[(4-oxo-1H-quinazolin-2-yl)thio]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[(4-keto-1H-quinazolin-2-yl)thio]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC(=O)C3=CC=CC=C3N2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC(=O)C3=CC=CC=C3N2)C)C

InChI

InChI=1S/C19H19N3O4S/c1-4-26-18(25)16-11(3)20-10(2)15(16)14(23)9-27-19-21-13-8-6-5-7-12(13)17(24)22-19/h5-8,20H,4,9H2,1-3H3,(H,21,22,24)