ethyl 4-[2-[2-[(6-bromanyl-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfonylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-[(6-bromanyl-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfonylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-[(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl]sulfonylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[2-[(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonyl-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-[(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-keto-ethyl]sulfonylacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H23BrN4O6S2 MolecularWeight: 547.44312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CS(=O)(=O)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CS(=O)(=O)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)C

InChI

InChI=1S/C19H23BrN4O6S2/c1-3-30-19(27)24-8-6-23(7-9-24)17(26)12-32(28,29)11-16(25)21-18-22(2)14-5-4-13(20)10-15(14)31-18/h4-5,10H,3,6-9,11-12H2,1-2H3