ethyl 4-[4-[[6-bromanyl-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[6-bromanyl-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[6-bromo-3-(2-ethoxy-2-oxo-ethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[[6-bromo-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[6-bromo-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[[6-bromo-3-(2-ethoxy-2-keto-ethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C25H27BrN4O7S2 MolecularWeight: 639.53848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C25H27BrN4O7S2/c1-3-36-22(31)16-30-20-10-7-18(26)15-21(20)38-24(30)27-23(32)17-5-8-19(9-6-17)39(34,35)29-13-11-28(12-14-29)25(33)37-4-2/h5-10,15H,3-4,11-14,16H2,1-2H3