[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-oxidanylidene-ethyl] 6-methylpyridine-3-carboxylate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-2-oxo-ethyl] 6-methylpyridine-3-carboxylate CAS Name: 6-methyl-3-pyridinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 6-methylpyridine-3-carboxylate Traditional Name: 6-methylnicotinic acid [2-[(1,1-diketothiolan-3-yl)-methyl-amino]-2-keto-ethyl] ester Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2

InChI

InChI=1S/C14H18N2O5S/c1-10-3-4-11(7-15-10)14(18)21-8-13(17)16(2)12-5-6-22(19,20)9-12/h3-4,7,12H,5-6,8-9H2,1-2H3