[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] (E)-3-quinoxalin-2-ylprop-2-enoate

Systemtic Name: [2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] (E)-3-quinoxalin-2-ylprop-2-enoate Openeye Name: [2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-2-oxo-ethyl] (E)-3-quinoxalin-2-ylprop-2-enoate CAS Name: (E)-3-(2-quinoxalinyl)-2-propenoic acid [2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate Traditional Name: (E)-3-quinoxalin-2-ylacrylic acid [2-[4-[(5-chloro-2-thienyl)methyl]piperazino]-2-keto-ethyl] ester Formula: C22H21ClN4O3S MolecularWeight: 456.94514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)COC(=O)C=CC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)COC(=O)/C=C/C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C22H21ClN4O3S/c23-20-7-6-17(31-20)14-26-9-11-27(12-10-26)21(28)15-30-22(29)8-5-16-13-24-18-3-1-2-4-19(18)25-16/h1-8,13H,9-12,14-15H2/b8-5+