ethyl 4-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]furan-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]furan-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-furyl]piperazine-1-carboxylate CAS Name: 4-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-furanyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-furyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC=C(O2)C=C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC=C(O2)/C=C(\C#N)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N4O3S/c1-2-27-21(26)25-11-9-24(10-12-25)19-8-7-16(28-19)13-15(14-22)20-23-17-5-3-4-6-18(17)29-20/h3-8,13H,2,9-12H2,1H3/b15-13+