ethyl 5-ethyl-4-methyl-2-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)CN2C=NC3=CC=CC=C3C2=O)C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)CN2C=NC3=CC=CC=C3C2=O)C(=O)OCC)C

InChI

InChI=1S/C20H21N3O4S/c1-4-15-12(3)17(20(26)27-5-2)18(28-15)22-16(24)10-23-11-21-14-9-7-6-8-13(14)19(23)25/h6-9,11H,4-5,10H2,1-3H3,(H,22,24)