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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NCCC2=CC=CS2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NCCC2=CC=CS2

InChI

InChI=1S/C17H19NO5S2/c1-12-5-6-14(25(2,21)22)10-15(12)17(20)23-11-16(19)18-8-7-13-4-3-9-24-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,19)