methyl 3-[2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazolin-3-yl]propionic acid methyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC

InChI

InChI=1S/C18H22N2O4S/c1-18(2,3)14(21)11-25-17-19-13-8-6-5-7-12(13)16(23)20(17)10-9-15(22)24-4/h5-8H,9-11H2,1-4H3