ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[[(E)-3-(3-nitrophenyl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C

InChI

InChI=1S/C22H25N3O6S/c1-5-24(6-2)21(27)19-14(4)18(22(28)31-7-3)20(32-19)23-17(26)12-11-15-9-8-10-16(13-15)25(29)30/h8-13H,5-7H2,1-4H3,(H,23,26)/b12-11+