4-(ethylamino)-3-[(2-nitrophenyl)sulfanylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(ethylamino)-3-[(2-nitrophenyl)sulfanylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(ethylamino)-3-[(2-nitrophenyl)sulfanylamino]-4-oxo-butanoic acid CAS Name: 4-(ethylamino)-3-[[(2-nitrophenyl)thio]amino]-4-oxobutanoic acid IUPAC Name: 4-(ethylamino)-3-[(2-nitrophenyl)sulfanylamino]-4-oxobutanoic acid Traditional Name: 4-(ethylamino)-4-keto-3-[[(2-nitrophenyl)thio]amino]butyric acid Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(CC(=O)O)NSC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)C(CC(=O)O)NSC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5S/c1-2-13-12(18)8(7-11(16)17)14-21-10-6-4-3-5-9(10)15(19)20/h3-6,8,14H,2,7H2,1H3,(H,13,18)(H,16,17)