(2Z)-7-methyl-3-oxidanyl-2-(4-oxidanylbutylidene)-6,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid

Systemtic Name: (2Z)-7-methyl-3-oxidanyl-2-(4-oxidanylbutylidene)-6,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid Openeye Name: (2Z)-3-hydroxy-2-(4-hydroxybutylidene)-7-methyl-6,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid CAS Name: (2Z)-3-hydroxy-2-(4-hydroxybutylidene)-7-methyl-6,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid IUPAC Name: (2Z)-3-hydroxy-2-(4-hydroxybutylidene)-7-methyl-6,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid Traditional Name: (2Z)-3-hydroxy-2-(4-hydroxybutylidene)-7-methyl-6,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid Formula: C12H17NO6S MolecularWeight: 303.33148

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C=NC(C(=CCCCO)S1)(C(=O)O)O)C(=O)O

Isomeric SMILES

CC1C(C=NC(/C(=C/CCCO)/S1)(C(=O)O)O)C(=O)O

InChI

InChI=1S/C12H17NO6S/c1-7-8(10(15)16)6-13-12(19,11(17)18)9(20-7)4-2-3-5-14/h4,6-8,14,19H,2-3,5H2,1H3,(H,15,16)(H,17,18)/b9-4-