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

Systemtic Name: methyl 2-[[(E)-3-(4-bromophenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(4-bromophenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-bromophenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(4-bromophenyl)-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-bromophenyl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C16H11BrN2O3S MolecularWeight: 391.23914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=O)C(=CC2=CC=C(C=C2)Br)C#N

Isomeric SMILES

COC(=O)C1=C(SC=C1)NC(=O)/C(=C/C2=CC=C(C=C2)Br)/C#N

InChI

InChI=1S/C16H11BrN2O3S/c1-22-16(21)13-6-7-23-15(13)19-14(20)11(9-18)8-10-2-4-12(17)5-3-10/h2-8H,1H3,(H,19,20)/b11-8+