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

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-4,5-dimethyl-3-thiophenecarboxylic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethyl-thiophene-3-carboxylic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C(=C(S2)C)C)C(=O)OCC3=NC(=O)C4=CC=CC=C4N3)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C(=C(S2)C)C)C(=O)OCC3=NC(=O)C4=CC=CC=C4N3)C

InChI

InChI=1S/C22H21N3O3S/c1-12-9-10-13(2)25(12)21-19(14(3)15(4)29-21)22(27)28-11-18-23-17-8-6-5-7-16(17)20(26)24-18/h5-10H,11H2,1-4H3,(H,23,24,26)