methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-(4-propylphenyl)ethyl]sulfanyl-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-(4-propylphenyl)ethyl]sulfanyl-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[2-oxo-2-(4-propylphenyl)ethyl]sulfanyl-quinazolin-3-yl]acetate CAS Name: 2-[4-oxo-2-[[2-oxo-2-(4-propylphenyl)ethyl]thio]-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[2-oxo-2-(4-propylphenyl)ethyl]sulfanylquinazolin-3-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-(4-propylphenyl)ethyl]thio]quinazolin-3-yl]acetic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

InChI

InChI=1S/C22H22N2O4S/c1-3-6-15-9-11-16(12-10-15)19(25)14-29-22-23-18-8-5-4-7-17(18)21(27)24(22)13-20(26)28-2/h4-5,7-12H,3,6,13-14H2,1-2H3