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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-thiophen-3-ylethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-(3-thienyl)acetate CAS Name: 2-(3-thiophenyl)acetic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-thiophen-3-ylacetate Traditional Name: 2-(3-thienyl)acetic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)CC3=CSC=C3)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)CC3=CSC=C3)CC#N

InChI

InChI=1S/C17H13N3O3S/c18-6-7-20-15(10-23-16(21)9-12-5-8-24-11-12)19-14-4-2-1-3-13(14)17(20)22/h1-5,8,11H,7,9-10H2