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

Systemtic Name: methyl 4-cyano-3-methyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate Openeye Name: methyl 4-cyano-3-methyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-3-methyl-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[(E)-3-(3-nitrophenyl)acryloyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C17H13N3O5S MolecularWeight: 371.36722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O5S/c1-10-13(9-18)16(26-15(10)17(22)25-2)19-14(21)7-6-11-4-3-5-12(8-11)20(23)24/h3-8H,1-2H3,(H,19,21)/b7-6+