[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] (1S,2R)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] (1S,2R)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] (1S,2R)-2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylate CAS Name: (1S,2R)-2-(1,3-benzothiazol-2-yl)-1-cyclohexanecarboxylic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] (1S,2R)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C22H24N2O3S2 MolecularWeight: 428.56756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NCCC4=CC=CS4

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)NCCC4=CC=CS4

InChI

InChI=1S/C22H24N2O3S2/c25-20(23-12-11-15-6-5-13-28-15)14-27-22(26)17-8-2-1-7-16(17)21-24-18-9-3-4-10-19(18)29-21/h3-6,9-10,13,16-17H,1-2,7-8,11-12,14H2,(H,23,25)/t16-,17+/m1/s1