[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(thiophen-2-ylcarbonylamino)ethanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(thiophen-2-ylcarbonylamino)ethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-(thiophene-2-carbonylamino)acetate CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]acetic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(thiophene-2-carbonylamino)acetate Traditional Name: 2-(2-thenoylamino)acetic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C18H14N4O4S MolecularWeight: 382.39316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)CNC(=O)C3=CC=CS3)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)CNC(=O)C3=CC=CS3)CC#N

InChI

InChI=1S/C18H14N4O4S/c19-7-8-22-15(21-13-5-2-1-4-12(13)18(22)25)11-26-16(23)10-20-17(24)14-6-3-9-27-14/h1-6,9H,8,10-11H2,(H,20,24)