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

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-propyl-amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-propyl-amino]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[[(3S)-1,1-dioxo-3-thiolanyl]-propylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-[[(3S)-1,1-diketothiolan-3-yl]-propyl-amino]-2-keto-ethyl] ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5S/c1-2-7-19(15-6-8-25(22,23)12-15)16(20)11-24-17(21)14-5-3-4-13(9-14)10-18/h3-5,9,15H,2,6-8,11-12H2,1H3/t15-/m0/s1