methyl 2-[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(2-cyanoanilino)-2-oxo-ethyl]sulfanyl-4-oxo-3-phenyl-quinazoline-7-carboxylate CAS Name: 2-[[2-(2-cyanoanilino)-2-oxoethyl]thio]-4-oxo-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(2-cyanoanilino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate Traditional Name: 2-[[2-(2-cyanoanilino)-2-keto-ethyl]thio]-4-keto-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C25H18N4O4S MolecularWeight: 470.49982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3C#N)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3C#N)C4=CC=CC=C4

InChI

InChI=1S/C25H18N4O4S/c1-33-24(32)16-11-12-19-21(13-16)28-25(29(23(19)31)18-8-3-2-4-9-18)34-15-22(30)27-20-10-6-5-7-17(20)14-26/h2-13H,15H2,1H3,(H,27,30)