methyl 4-(butylamino)-2-[(2-nitrophenyl)sulfanylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-(butylamino)-2-[(2-nitrophenyl)sulfanylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-(butylamino)-2-[(2-nitrophenyl)sulfanylamino]-4-oxo-butanoate CAS Name: 4-(butylamino)-2-[[(2-nitrophenyl)thio]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(butylamino)-2-[(2-nitrophenyl)sulfanylamino]-4-oxobutanoate Traditional Name: 4-(butylamino)-4-keto-2-[[(2-nitrophenyl)thio]amino]butyric acid methyl ester Formula: C15H21N3O5S MolecularWeight: 355.40934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O5S/c1-3-4-9-16-14(19)10-11(15(20)23-2)17-24-13-8-6-5-7-12(13)18(21)22/h5-8,11,17H,3-4,9-10H2,1-2H3,(H,16,19)