ethyl 2-(2-aminocarbonyl-3,5-dinitro-phenyl)sulfanylethanoate

Systemtic Name: ethyl 2-(2-aminocarbonyl-3,5-dinitro-phenyl)sulfanylethanoate Openeye Name: ethyl 2-(2-carbamoyl-3,5-dinitro-phenyl)sulfanylacetate CAS Name: 2-[(2-carbamoyl-3,5-dinitrophenyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-carbamoyl-3,5-dinitrophenyl)sulfanylacetate Traditional Name: 2-[(2-carbamoyl-3,5-dinitro-phenyl)thio]acetic acid ethyl ester Formula: C11H11N3O7S MolecularWeight: 329.28594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=CC(=CC(=C1C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=CC(=CC(=C1C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O7S/c1-2-21-9(15)5-22-8-4-6(13(17)18)3-7(14(19)20)10(8)11(12)16/h3-4H,2,5H2,1H3,(H2,12,16)