ethyl 5-ethyl-2-[2-(2-nitrothiophen-3-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[2-(2-nitrothiophen-3-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-[(2-nitro-3-thienyl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-[(2-nitro-3-thiophenyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(2-nitrothiophen-3-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[(2-nitro-3-thienyl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C15H16N2O5S3 MolecularWeight: 400.49294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSC2=C(SC=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSC2=C(SC=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C15H16N2O5S3/c1-3-9-7-10(15(19)22-4-2)13(25-9)16-12(18)8-24-11-5-6-23-14(11)17(20)21/h5-7H,3-4,8H2,1-2H3,(H,16,18)