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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-(pivaloylamino)thiophene-3-carboxylic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)NC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)NC(=O)C(C)(C)C)C

InChI

InChI=1S/C21H22ClN3O4S/c1-10-11(2)30-18(25-20(28)21(3,4)5)16(10)19(27)29-9-15-23-14-8-12(22)6-7-13(14)17(26)24-15/h6-8H,9H2,1-5H3,(H,25,28)(H,23,24,26)