2-[2-[[3,5-bis(methoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-[[3,5-bis(methoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-[3,5-bis(methoxycarbonyl)anilino]-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-[3,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-[3,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-(3,5-dicarbomethoxyanilino)-2-keto-ethyl]thio]quinazolin-4-olate Formula: C20H16N3O6S- MolecularWeight: 426.42254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-])C(=O)OC

InChI

InChI=1S/C20H17N3O6S/c1-28-18(26)11-7-12(19(27)29-2)9-13(8-11)21-16(24)10-30-20-22-15-6-4-3-5-14(15)17(25)23-20/h3-9H,10H2,1-2H3,(H,21,24)(H,22,23,25)/p-1