N-[3-(2-ethoxyethyl)-4,6-bis(fluoranyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-[3-(2-ethoxyethyl)-4,6-bis(fluoranyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)pipecolinamide Formula: C21H23F2N3O4S3 MolecularWeight: 515.616826

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)F)F

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)F)F

InChI

InChI=1S/C21H23F2N3O4S3/c1-2-30-10-9-25-19-15(23)12-14(22)13-17(19)32-21(25)24-20(27)16-6-3-4-8-26(16)33(28,29)18-7-5-11-31-18/h5,7,11-13,16H,2-4,6,8-10H2,1H3