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

Systemtic Name: 4-(hexylamino)-2-[(2-nitrophenyl)sulfanylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(hexylamino)-2-[(2-nitrophenyl)sulfanylamino]-4-oxo-butanoic acid CAS Name: 4-(hexylamino)-2-[[(2-nitrophenyl)thio]amino]-4-oxobutanoic acid IUPAC Name: 4-(hexylamino)-2-[(2-nitrophenyl)sulfanylamino]-4-oxobutanoic acid Traditional Name: 4-(hexylamino)-4-keto-2-[[(2-nitrophenyl)thio]amino]butyric acid Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O5S/c1-2-3-4-7-10-17-15(20)11-12(16(21)22)18-25-14-9-6-5-8-13(14)19(23)24/h5-6,8-9,12,18H,2-4,7,10-11H2,1H3,(H,17,20)(H,21,22)