[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl (E)-3-(2-thienyl)prop-2-enoate CAS Name: (E)-3-thiophen-2-yl-2-propenoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-(2-thienyl)acrylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C=CC3=CC=CS3)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O3S/c19-9-10-21-16(20-15-6-2-1-5-14(15)18(21)23)12-24-17(22)8-7-13-4-3-11-25-13/h1-8,11H,10,12H2/b8-7+