[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-amino]-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [2-[[(3S)-1,1-dioxo-3-thiolanyl]-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [2-[[(3S)-1,1-diketothiolan-3-yl]-ethyl-amino]-2-keto-ethyl] ester Formula: C18H21NO5S2 MolecularWeight: 395.49304

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3S2)C

Isomeric SMILES

CCN([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3S2)C

InChI

InChI=1S/C18H21NO5S2/c1-3-19(13-8-9-26(22,23)11-13)16(20)10-24-18(21)17-12(2)14-6-4-5-7-15(14)25-17/h4-7,13H,3,8-11H2,1-2H3/t13-/m0/s1