propyl 4-[(2-nitrophenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[(2-nitrophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(2-nitrophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-nitroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(2-nitrophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(2-nitrophenyl)thiocarbamoylamino]butyric acid propyl ester Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O5S/c1-2-9-22-13(19)8-7-12(18)16-14(23)15-10-5-3-4-6-11(10)17(20)21/h3-6H,2,7-9H2,1H3,(H2,15,16,18,23)