[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)C

InChI

InChI=1S/C21H19N3O3S/c1-14-7-8-18(15(2)11-14)28-13-20(25)27-12-19-23-17-6-4-3-5-16(17)21(26)24(19)10-9-22/h3-8,11H,10,12-13H2,1-2H3