ethyl 4-[(E)-3-(4-bromophenyl)-2-(thiophen-2-ylcarbonylamino)prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(E)-3-(4-bromophenyl)-2-(thiophen-2-ylcarbonylamino)prop-2-enoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-3-(4-bromophenyl)-2-(thiophene-2-carbonylamino)prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-(4-bromophenyl)-1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]prop-2-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(4-bromophenyl)-2-(thiophene-2-carbonylamino)prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-(4-bromophenyl)-2-(2-thenoylamino)acryloyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(=CC2=CC=C(C=C2)Br)NC(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)/C(=C\C2=CC=C(C=C2)Br)/NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H22BrN3O4S/c1-2-29-21(28)25-11-9-24(10-12-25)20(27)17(14-15-5-7-16(22)8-6-15)23-19(26)18-4-3-13-30-18/h3-8,13-14H,2,9-12H2,1H3,(H,23,26)/b17-14+