ethyl 4-[(4-methyl-3-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(4-methyl-3-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(4-methyl-3-nitro-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-methyl-3-nitroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-methyl-3-nitrophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(4-methyl-3-nitro-phenyl)thiocarbamoylamino]butyric acid ethyl ester Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O5S/c1-3-22-13(19)7-6-12(18)16-14(23)15-10-5-4-9(2)11(8-10)17(20)21/h4-5,8H,3,6-7H2,1-2H3,(H2,15,16,18,23)