ethyl 4-cyano-3-methyl-5-[2-(4-nitrophenyl)sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-(4-nitrophenyl)sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[2-(4-nitrophenyl)sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[2-(4-nitrophenyl)sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-[(4-nitrophenyl)thio]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C17H15N3O5S2 MolecularWeight: 405.4481

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C17H15N3O5S2/c1-3-25-17(22)15-10(2)13(8-18)16(27-15)19-14(21)9-26-12-6-4-11(5-7-12)20(23)24/h4-7H,3,9H2,1-2H3,(H,19,21)