1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenecarboxylic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2)N4C=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2)N4C=CC=C4)C

InChI

InChI=1S/C21H19N3O3S/c1-12-14(3)28-20(24-10-6-7-11-24)17(12)21(26)27-13(2)18-22-16-9-5-4-8-15(16)19(25)23-18/h4-11,13H,1-3H3,(H,22,23,25)