ethyl 2-oxidanylidene-3-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-propanoate

Systemtic Name: ethyl 2-oxidanylidene-3-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-propanoate Openeye Name: ethyl 3-[3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-oxo-propanoate CAS Name: 2-oxo-3-[[4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-oxo-3-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylpropanoate Traditional Name: 2-keto-3-[(4-keto-3-o-cumenyl-quinazolin-2-yl)thio]propionic acid ethyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C(C)C

Isomeric SMILES

CCOC(=O)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C(C)C

InChI

InChI=1S/C22H22N2O4S/c1-4-28-21(27)19(25)13-29-22-23-17-11-7-5-10-16(17)20(26)24(22)18-12-8-6-9-15(18)14(2)3/h5-12,14H,4,13H2,1-3H3