[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid [2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [2-keto-2-[4-(2-thenoyl)piperazino]ethyl] ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C=CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)/C=C/C2=CC=C(C=C2)C#N)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H19N3O4S/c22-14-17-5-3-16(4-6-17)7-8-20(26)28-15-19(25)23-9-11-24(12-10-23)21(27)18-2-1-13-29-18/h1-8,13H,9-12,15H2/b8-7+