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

Systemtic Name: ethyl (E)-3-[4-[2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanoylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[1-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[2-[4-(2-thenoyl)piperazino]acetyl]amino]phenyl]acrylic acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C22H25N3O4S/c1-2-29-21(27)10-7-17-5-8-18(9-6-17)23-20(26)16-24-11-13-25(14-12-24)22(28)19-4-3-15-30-19/h3-10,15H,2,11-14,16H2,1H3,(H,23,26)/b10-7+