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

Systemtic Name: methyl 2-[2-[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[3-(2-cyanoanilino)-3-oxo-propyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[[3-(2-cyanoanilino)-3-oxopropyl]thio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[3-(2-cyanoanilino)-3-oxopropyl]sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[[3-(2-cyanoanilino)-3-keto-propyl]thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C21H18N4O4S/c1-29-19(27)13-25-20(28)15-7-3-5-9-17(15)24-21(25)30-11-10-18(26)23-16-8-4-2-6-14(16)12-22/h2-9H,10-11,13H2,1H3,(H,23,26)