ethyl 2-[4-fluoranyl-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-fluoranyl-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-fluoro-2-[1-(2-thienylsulfonyl)piperidine-2-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-fluoro-2-[oxo-(1-thiophen-2-ylsulfonyl-2-piperidinyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-fluoro-2-(1-thiophen-2-ylsulfonylpiperidine-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-fluoro-2-[1-(2-thienylsulfonyl)pipecoloyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H22FN3O5S3 MolecularWeight: 511.609883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)F

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)F

InChI

InChI=1S/C21H22FN3O5S3/c1-2-30-17(26)13-24-19-14(22)7-5-9-16(19)32-21(24)23-20(27)15-8-3-4-11-25(15)33(28,29)18-10-6-12-31-18/h5-7,9-10,12,15H,2-4,8,11,13H2,1H3