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

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 5-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-2-thiophenecarboxylic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 3-methyl-5-(pivaloylamino)thiophene-2-carboxylic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H23N3O4S/c1-11-10-15(23-20(27)21(3,4)5)29-16(11)19(26)28-12(2)17-22-14-9-7-6-8-13(14)18(25)24-17/h6-10,12H,1-5H3,(H,23,27)(H,22,24,25)