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

Systemtic Name: ethyl 2-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 5-isopropyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 5-isopropyl-2-[[2-(4-ketoquinazolin-3-yl)acetyl]amino]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(=C1)C(C)C)NC(=O)CN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CN2C=NC3=CC=CC=C3C2=O

InChI

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