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

Systemtic Name: methyl 2-[2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H16N4O4S/c1-28-18(26)11-24-19(27)15-7-2-3-8-16(15)23-20(24)29-12-17(25)22-14-6-4-5-13(9-14)10-21/h2-9H,11-12H2,1H3,(H,22,25)