(2-fluorophenyl)methyl (3S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (2-fluorophenyl)methyl (3S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2-fluorophenyl)methyl (3S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidinecarboxylic acid (2-fluorophenyl)methyl ester IUPAC Name: (2-fluorophenyl)methyl (3S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-keto-pyrrolidine-3-carboxylic acid (2-fluorobenzyl) ester Formula: C21H19FN2O4S MolecularWeight: 414.449963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CC(CC3=O)C(=O)OCC4=CC=CC=C4F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3C[C@H](CC3=O)C(=O)OCC4=CC=CC=C4F

InChI

InChI=1S/C21H19FN2O4S/c1-2-27-15-7-8-17-18(10-15)29-21(23-17)24-11-14(9-19(24)25)20(26)28-12-13-5-3-4-6-16(13)22/h3-8,10,14H,2,9,11-12H2,1H3/t14-/m0/s1