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

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-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-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C19H21NO3S3 MolecularWeight: 407.56994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC(=O)NCCC3=CC=CS3

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C19H21NO3S3/c21-17(20-9-8-16-3-1-10-24-16)13-23-18(22)14-4-6-15(7-5-14)19-25-11-2-12-26-19/h1,3-7,10,19H,2,8-9,11-13H2,(H,20,21)