N-(4-fluoranyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-fluoranyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(3-allyl-4-fluoro-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(3-allyl-4-fluoro-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C19H18FN3O3S3 MolecularWeight: 451.557923

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=CC=C2SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)F

Isomeric SMILES

C=CCN1C2=C(C=CC=C2SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)F

InChI

InChI=1S/C19H18FN3O3S3/c1-2-10-22-17-13(20)6-3-8-15(17)28-19(22)21-18(24)14-7-4-11-23(14)29(25,26)16-9-5-12-27-16/h2-3,5-6,8-9,12,14H,1,4,7,10-11H2