[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexanecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1(CCCCC1)CC2=NC3=CC=CC=C3S2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1(CCCCC1)CC2=NC3=CC=CC=C3S2)/N

InChI

InChI=1S/C21H23N3O3S/c1-14(23)15(12-22)17(25)13-27-20(26)21(9-5-2-6-10-21)11-19-24-16-7-3-4-8-18(16)28-19/h3-4,7-8H,2,5-6,9-11,13,23H2,1H3/b15-14+