methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl]sulfanyl-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl]sulfanyl-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(2-allylsulfanylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[4-oxo-2-[[2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl]thio]-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]sulfanylquinazolin-3-yl]acetate Traditional Name: 2-[2-[[2-[2-(allylthio)anilino]-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3SCC=C

Isomeric SMILES

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3SCC=C

InChI

InChI=1S/C22H21N3O4S2/c1-3-12-30-18-11-7-6-10-17(18)23-19(26)14-31-22-24-16-9-5-4-8-15(16)21(28)25(22)13-20(27)29-2/h3-11H,1,12-14H2,2H3,(H,23,26)