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

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-propyl-amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-propyl-amino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[[(3S)-1,1-dioxo-3-thiolanyl]-propylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[[(3S)-1,1-diketothiolan-3-yl]-propyl-amino]-2-keto-ethyl] ester Formula: C16H22N2O5S2 MolecularWeight: 386.48628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5S2/c1-3-8-18(12-6-9-25(21,22)11-12)14(19)10-23-16(20)13-5-4-7-17-15(13)24-2/h4-5,7,12H,3,6,8-11H2,1-2H3/t12-/m0/s1