ethyl 4,5-dimethyl-2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-3-(4-oxo-3-quinazolinyl)propyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 2-[3-(4-ketoquinazolin-3-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C20H21N3O4S/c1-4-27-20(26)17-12(2)13(3)28-18(17)22-16(24)9-10-23-11-21-15-8-6-5-7-14(15)19(23)25/h5-8,11H,4,9-10H2,1-3H3,(H,22,24)