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

Systemtic Name: N-[3-(2-ethoxyethyl)-4-fluoranyl-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C20H22FN3O4S3 MolecularWeight: 483.599783

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=CC=C2SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)F

Isomeric SMILES

CCOCCN1C2=C(C=CC=C2SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)F

InChI

InChI=1S/C20H22FN3O4S3/c1-2-28-12-11-23-18-14(21)6-3-8-16(18)30-20(23)22-19(25)15-7-4-10-24(15)31(26,27)17-9-5-13-29-17/h3,5-6,8-9,13,15H,2,4,7,10-12H2,1H3