[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C18H19NO3S3 MolecularWeight: 393.54336

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC(=O)NCCC3=CC=CS3

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C18H19NO3S3/c20-16(19-8-7-15-2-1-9-23-15)12-22-17(21)13-3-5-14(6-4-13)18-24-10-11-25-18/h1-6,9,18H,7-8,10-12H2,(H,19,20)