[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C20H18FN3O6S2 MolecularWeight: 479.501823

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18FN3O6S2/c21-15-6-5-13(32(27,28)24-7-9-29-10-8-24)11-14(15)19(26)30-12-18(25)23-20-22-16-3-1-2-4-17(16)31-20/h1-6,11H,7-10,12H2,(H,22,23,25)