methyl 2-[3-[(3-nitrophenyl)methyl]quinoxalin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[3-[(3-nitrophenyl)methyl]quinoxalin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[3-[(3-nitrophenyl)methyl]quinoxalin-2-yl]sulfanylacetate CAS Name: 2-[[3-[(3-nitrophenyl)methyl]-2-quinoxalinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(3-nitrophenyl)methyl]quinoxalin-2-yl]sulfanylacetate Traditional Name: 2-[[3-(3-nitrobenzyl)quinoxalin-2-yl]thio]acetic acid methyl ester Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=CC=CC=C2N=C1CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=NC2=CC=CC=C2N=C1CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O4S/c1-25-17(22)11-26-18-16(19-14-7-2-3-8-15(14)20-18)10-12-5-4-6-13(9-12)21(23)24/h2-9H,10-11H2,1H3