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

Systemtic Name: ethyl 4-[(Z)-3-(4-bromophenyl)-2-thiophen-2-yl-prop-2-enoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(Z)-3-(4-bromophenyl)-2-(2-thienyl)prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(Z)-3-(4-bromophenyl)-1-oxo-2-thiophen-2-ylprop-2-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(Z)-3-(4-bromophenyl)-2-thiophen-2-ylprop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(Z)-3-(4-bromophenyl)-2-(2-thienyl)acryloyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O3S/c1-2-26-20(25)23-11-9-22(10-12-23)19(24)17(18-4-3-13-27-18)14-15-5-7-16(21)8-6-15/h3-8,13-14H,2,9-12H2,1H3/b17-14+