2-[6-aminocarbonyl-3-(3-methoxycarbonylpyridin-1-ium-1-yl)quinoxalin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[6-aminocarbonyl-3-(3-methoxycarbonylpyridin-1-ium-1-yl)quinoxalin-2-yl]sulfanylethanoic acid Openeye Name: 2-[6-carbamoyl-3-(3-methoxycarbonylpyridin-1-ium-1-yl)quinoxalin-2-yl]sulfanylacetic acid CAS Name: 2-[[6-carbamoyl-3-(3-methoxycarbonyl-1-pyridin-1-iumyl)-2-quinoxalinyl]thio]acetic acid IUPAC Name: 2-[6-carbamoyl-3-(3-methoxycarbonylpyridin-1-ium-1-yl)quinoxalin-2-yl]sulfanylacetic acid Traditional Name: 2-[[6-carbamoyl-3-(3-carbomethoxypyridin-1-ium-1-yl)quinoxalin-2-yl]thio]acetic acid Formula: C18H15N4O5S+ MolecularWeight: 399.4005

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C[N+](=CC=C1)C2=NC3=C(C=CC(=C3)C(=O)N)N=C2SCC(=O)O

Isomeric SMILES

COC(=O)C1=C[N+](=CC=C1)C2=NC3=C(C=CC(=C3)C(=O)N)N=C2SCC(=O)O

InChI

InChI=1S/C18H14N4O5S/c1-27-18(26)11-3-2-6-22(8-11)16-17(28-9-14(23)24)21-12-5-4-10(15(19)25)7-13(12)20-16/h2-8H,9H2,1H3,(H2-,19,23,24,25)/p+1