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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CCCN([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C18H21NO5S2/c1-2-8-19(14-7-9-26(22,23)12-14)17(20)11-24-18(21)16-10-13-5-3-4-6-15(13)25-16/h3-6,10,14H,2,7-9,11-12H2,1H3/t14-/m0/s1