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

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3-methoxyphenyl)-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-(3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-methoxyphenyl)acrylic acid [2-keto-2-[4-(2-thenoyl)piperazino]ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=CC(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC=CC(=C1)/C=C/C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H22N2O5S/c1-27-17-5-2-4-16(14-17)7-8-20(25)28-15-19(24)22-9-11-23(12-10-22)21(26)18-6-3-13-29-18/h2-8,13-14H,9-12,15H2,1H3/b8-7+