methyl 4-[2-[(4-nitrophenyl)carbamothioylamino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 4-[2-[(4-nitrophenyl)carbamothioylamino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 4-[2-[(4-nitrophenyl)carbamothioylamino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(4-nitrophenyl)carbamothioylamino]-2-oxoethoxy]benzoate Traditional Name: 4-[2-keto-2-[(4-nitrophenyl)thiocarbamoylamino]ethoxy]benzoic acid methyl ester Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O6S/c1-25-16(22)11-2-8-14(9-3-11)26-10-15(21)19-17(27)18-12-4-6-13(7-5-12)20(23)24/h2-9H,10H2,1H3,(H2,18,19,21,27)