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

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [2-[[(2S)-butan-2-yl]-[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [2-[[(3S)-1,1-diketothiolan-3-yl]-[(1S)-1-methylpropyl]amino]-2-keto-ethyl] ester Formula: C20H25NO5S2 MolecularWeight: 423.5462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO5S2/c1-4-13(2)21(15-9-10-28(24,25)12-15)18(22)11-26-20(23)19-14(3)16-7-5-6-8-17(16)27-19/h5-8,13,15H,4,9-12H2,1-3H3/t13-,15-/m0/s1