(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]sulfanylbenzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]sulfanylbenzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzoate CAS Name: 2-[[(3S)-1,1-dioxo-3-thiolanyl]thio]benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylbenzoate Traditional Name: 2-[[(3S)-1,1-diketothiolan-3-yl]thio]benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1SC2CCS(=O)(=O)C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1S[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C17H18N2O5S2/c1-11(19)14(8-18)15(20)9-24-17(21)13-4-2-3-5-16(13)25-12-6-7-26(22,23)10-12/h2-5,12,14,19H,6-7,9-10H2,1H3/t12-,14?/m0/s1