methyl 2-[2-[1-cyano-2-(4-methylphenyl)ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[1-cyano-2-(4-methylphenyl)ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[1-cyano-2-(p-tolyl)ethyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[[1-cyano-2-(4-methylphenyl)ethyl]thio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[1-cyano-2-(4-methylphenyl)ethyl]sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[[1-cyano-2-(p-tolyl)ethyl]thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CC(C#N)SC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

InChI

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