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

Systemtic Name: 2-methoxyethyl 4-[(4-nitrophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[(4-nitrophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[(4-nitrophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(4-nitrophenyl)thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C14H17N3O6S MolecularWeight: 355.36628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O6S/c1-22-8-9-23-13(19)7-6-12(18)16-14(24)15-10-2-4-11(5-3-10)17(20)21/h2-5H,6-9H2,1H3,(H2,15,16,18,24)