[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] 1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] 1-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxylic acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C21H18FN3O5S MolecularWeight: 443.448123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N3CC(CC3=O)C(=O)OCC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N3CC(CC3=O)C(=O)OCC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C21H18FN3O5S/c1-29-15-6-7-16-17(9-15)31-21(24-16)25-10-12(8-19(25)27)20(28)30-11-18(26)23-14-4-2-13(22)3-5-14/h2-7,9,12H,8,10-11H2,1H3,(H,23,26)