methyl 2-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC)C)C(C)(C)C

InChI

InChI=1S/C24H28N2O3S/c1-15-11-17(24(3,4)5)12-16(2)19(15)14-30-23-25-20-10-8-7-9-18(20)22(28)26(23)13-21(27)29-6/h7-12H,13-14H2,1-6H3