[2-[(5-ethanoyl-3-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: [2-[(5-ethanoyl-3-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [2-[(5-acetyl-3-ethoxycarbonyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [2-[(5-acetyl-3-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [2-[(5-acetyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [2-[(5-acetyl-3-carbethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]-[(4-keto-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C22H25N4O5S+ MolecularWeight: 457.5227

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C[NH+](C)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C[NH+](C)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C22H24N4O5S/c1-5-31-22(30)18-12(2)19(13(3)27)32-21(18)25-17(28)11-26(4)10-16-23-15-9-7-6-8-14(15)20(29)24-16/h6-9H,5,10-11H2,1-4H3,(H,25,28)(H,23,24,29)/p+1