methyl 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: methyl 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: methyl 2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-carbamoyl-2-nitrophenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(4-carbamoyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-carbamoyl-2-nitro-phenyl)thio]acetic acid methyl ester Formula: C10H10N2O5S MolecularWeight: 270.2618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C10H10N2O5S/c1-17-9(13)5-18-8-3-2-6(10(11)14)4-7(8)12(15)16/h2-4H,5H2,1H3,(H2,11,14)