(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-[2-(cycloheptylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cycloheptylamino)-2-oxoethyl]thio]benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-[2-(cycloheptylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cycloheptylamino)-2-keto-ethyl]thio]benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C22H25NO4S2 MolecularWeight: 431.5682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CSC2=CC=CC=C2C(=O)OCC(=O)C3=CC=CS3

Isomeric SMILES

C1CCCC(CC1)NC(=O)CSC2=CC=CC=C2C(=O)OCC(=O)C3=CC=CS3

InChI

InChI=1S/C22H25NO4S2/c24-18(20-12-7-13-28-20)14-27-22(26)17-10-5-6-11-19(17)29-15-21(25)23-16-8-3-1-2-4-9-16/h5-7,10-13,16H,1-4,8-9,14-15H2,(H,23,25)