ethyl 4-[4-[(3-ethyl-4-fluoranyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(3-ethyl-4-fluoranyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C23H25FN4O5S2 MolecularWeight: 520.596803

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC)F

Isomeric SMILES

CCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC)F

InChI

InChI=1S/C23H25FN4O5S2/c1-3-28-20-18(24)6-5-7-19(20)34-22(28)25-21(29)16-8-10-17(11-9-16)35(31,32)27-14-12-26(13-15-27)23(30)33-4-2/h5-11H,3-4,12-15H2,1-2H3