ethyl 2-[[(E)-2-cyano-3-(5-nitro-2-oxidanyl-phenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(5-nitro-2-oxidanyl-phenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(2-hydroxy-5-nitro-phenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(2-hydroxy-5-nitrophenyl)-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(2-hydroxy-5-nitrophenyl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(2-hydroxy-5-nitro-phenyl)acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])O)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C(=C/C2=C(C=CC(=C2)[N+](=O)[O-])O)/C#N

InChI

InChI=1S/C19H17N3O6S/c1-4-28-19(25)16-10(2)11(3)29-18(16)21-17(24)13(9-20)7-12-8-14(22(26)27)5-6-15(12)23/h5-8,23H,4H2,1-3H3,(H,21,24)/b13-7+