ethyl 4-[2-[2-oxidanylidene-2-[(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]ethyl]sulfonylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-oxidanylidene-2-[(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]ethyl]sulfonylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-oxo-2-[(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]ethyl]sulfonylacetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[2-oxo-2-[(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]ethyl]sulfonylethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-oxo-2-[(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]ethyl]sulfonylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-keto-2-[(3-propargyl-1,3-benzothiazol-2-ylidene)amino]ethyl]sulfonylacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H24N4O6S2 MolecularWeight: 492.56846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CS(=O)(=O)CC(=O)N=C2N(C3=CC=CC=C3S2)CC#C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CS(=O)(=O)CC(=O)N=C2N(C3=CC=CC=C3S2)CC#C

InChI

InChI=1S/C21H24N4O6S2/c1-3-9-25-16-7-5-6-8-17(16)32-20(25)22-18(26)14-33(29,30)15-19(27)23-10-12-24(13-11-23)21(28)31-4-2/h1,5-8H,4,9-15H2,2H3