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

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] (1S,2R)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylcarbamoylamino]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-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)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)ethylcarbamoylamino]ethyl] ester Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4S2/c27-20(26-23(29)24-12-11-15-6-5-13-31-15)14-30-22(28)17-8-2-1-7-16(17)21-25-18-9-3-4-10-19(18)32-21/h3-6,9-10,13,16-17H,1-2,7-8,11-12,14H2,(H2,24,26,27,29)/t16-,17+/m1/s1