[2-(4-bromophenyl)-2-oxidanylidene-ethyl] (3S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] (3S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] (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-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] (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-(4-bromophenyl)-2-keto-ethyl] ester Formula: C22H19BrN2O5S MolecularWeight: 503.36566

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)OCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3C[C@H](CC3=O)C(=O)OCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H19BrN2O5S/c1-2-29-16-7-8-17-19(10-16)31-22(24-17)25-11-14(9-20(25)27)21(28)30-12-18(26)13-3-5-15(23)6-4-13/h3-8,10,14H,2,9,11-12H2,1H3/t14-/m0/s1