ethyl 4-[(3-nitrophenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(3-nitrophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(3-nitrophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-nitroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(3-nitrophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(3-nitrophenyl)thiocarbamoylamino]butyric acid ethyl ester Formula: C13H15N3O5S MolecularWeight: 325.3403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O5S/c1-2-21-12(18)7-6-11(17)15-13(22)14-9-4-3-5-10(8-9)16(19)20/h3-5,8H,2,6-7H2,1H3,(H2,14,15,17,22)