[2-oxidanylidene-2-(1-thiophen-2-ylethylamino)ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(1-thiophen-2-ylethylamino)ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-oxo-2-[1-(2-thienyl)ethylamino]ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-keto-2-[1-(2-thienyl)ethylamino]ethyl] ester Formula: C17H19NO5S2 MolecularWeight: 381.46646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NC(C)C2=CC=CS2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NC(C)C2=CC=CS2

InChI

InChI=1S/C17H19NO5S2/c1-11-6-7-13(25(3,21)22)9-14(11)17(20)23-10-16(19)18-12(2)15-5-4-8-24-15/h4-9,12H,10H2,1-3H3,(H,18,19)