ethyl 5-nitro-2-[2-(phenylmethylsulfanyl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-nitro-2-[2-(phenylmethylsulfanyl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-benzylsulfanylacetyl)amino]-5-nitro-thiophene-3-carboxylate CAS Name: 5-nitro-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-benzylsulfanylacetyl)amino]-5-nitrothiophene-3-carboxylate Traditional Name: 2-[[2-(benzylthio)acetyl]amino]-5-nitro-thiophene-3-carboxylic acid ethyl ester Formula: C16H16N2O5S2 MolecularWeight: 380.43864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)CSCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O5S2/c1-2-23-16(20)12-8-14(18(21)22)25-15(12)17-13(19)10-24-9-11-6-4-3-5-7-11/h3-8H,2,9-10H2,1H3,(H,17,19)