2-[2-[[4-[2-(diethylazaniumyl)ethoxycarbonyl]phenyl]amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-[[4-[2-(diethylazaniumyl)ethoxycarbonyl]phenyl]amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-[4-[2-(diethylammonio)ethoxycarbonyl]anilino]-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-[4-[2-(diethylammonio)ethoxy-oxomethyl]anilino]-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-[4-[2-(diethylazaniumyl)ethoxycarbonyl]anilino]-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-[4-[2-(diethylammonio)ethoxycarbonyl]anilino]-2-keto-ethyl]thio]quinazolin-4-olate Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C23H26N4O4S/c1-3-27(4-2)13-14-31-22(30)16-9-11-17(12-10-16)24-20(28)15-32-23-25-19-8-6-5-7-18(19)21(29)26-23/h5-12H,3-4,13-15H2,1-2H3,(H,24,28)(H,25,26,29)