5-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]-3-methyl-furan-2-carboxylic acid

Systemtic Name: 5-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]methyl]-3-methyl-furan-2-carboxylic acid Openeye Name: 5-[[(1,1-dioxothiolan-3-yl)-methyl-amino]methyl]-3-methyl-furan-2-carboxylic acid CAS Name: 5-[[(1,1-dioxo-3-thiolanyl)-methylamino]methyl]-3-methyl-2-furancarboxylic acid IUPAC Name: 5-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-3-methylfuran-2-carboxylic acid Traditional Name: 5-[[(1,1-diketothiolan-3-yl)-methyl-amino]methyl]-3-methyl-2-furoic acid Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)CN(C)C2CCS(=O)(=O)C2)C(=O)O

Isomeric SMILES

CC1=C(OC(=C1)CN(C)C2CCS(=O)(=O)C2)C(=O)O

InChI

InChI=1S/C12H17NO5S/c1-8-5-10(18-11(8)12(14)15)6-13(2)9-3-4-19(16,17)7-9/h5,9H,3-4,6-7H2,1-2H3,(H,14,15)