methyl 2-[4-oxidanylidene-2-[(4-propan-2-ylphenyl)methylsulfanyl]quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[(4-propan-2-ylphenyl)methylsulfanyl]quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[(4-isopropylphenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[4-oxo-2-[(4-propan-2-ylphenyl)methylthio]-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[(4-propan-2-ylphenyl)methylsulfanyl]quinazolin-3-yl]acetate Traditional Name: 2-[2-[(4-isopropylbenzyl)thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

InChI

InChI=1S/C21H22N2O3S/c1-14(2)16-10-8-15(9-11-16)13-27-21-22-18-7-5-4-6-17(18)20(25)23(21)12-19(24)26-3/h4-11,14H,12-13H2,1-3H3