1,3-benzothiazol-2-ylmethyl 4-[4-[(E)-2-cyano-3-(oxidanylamino)-3-oxidanylidene-prop-1-enyl]phenyl]piperazine-1-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-[4-[(E)-2-cyano-3-(oxidanylamino)-3-oxidanylidene-prop-1-enyl]phenyl]piperazine-1-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-[4-[(E)-2-cyano-3-(hydroxyamino)-3-oxo-prop-1-enyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[(E)-2-cyano-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1-piperazinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-[4-[(E)-2-cyano-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(E)-2-cyano-3-(hydroxyamino)-3-keto-prop-1-enyl]phenyl]piperazine-1-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C23H21N5O4S MolecularWeight: 463.50894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C=C(C#N)C(=O)NO)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)/C=C(\C#N)/C(=O)NO)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H21N5O4S/c24-14-17(22(29)26-31)13-16-5-7-18(8-6-16)27-9-11-28(12-10-27)23(30)32-15-21-25-19-3-1-2-4-20(19)33-21/h1-8,13,31H,9-12,15H2,(H,26,29)/b17-13+