methyl 2-[[(E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(4-nitrophenyl)acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/C#N)C

InChI

InChI=1S/C18H15N3O5S/c1-10-11(2)27-17(15(10)18(23)26-3)20-16(22)13(9-19)8-12-4-6-14(7-5-12)21(24)25/h4-8H,1-3H3,(H,20,22)/b13-8+