2-[3-(diethylamino)-6-oxidanyl-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-(diethylamino)-6-oxidanyl-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl]sulfanylethanoic acid Openeye Name: 2-[3-(diethylamino)-6-hydroxy-5-oxo-cyclohepta-1,3,6-trien-1-yl]sulfanylacetic acid CAS Name: 2-[[3-(diethylamino)-6-hydroxy-5-oxo-1-cyclohepta-1,3,6-trienyl]thio]acetic acid IUPAC Name: 2-[3-(diethylamino)-6-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl]sulfanylacetic acid Traditional Name: 2-[[3-(diethylamino)-6-hydroxy-5-keto-cyclohepta-1,3,6-trien-1-yl]thio]acetic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=O)C(=CC(=C1)SCC(=O)O)O

Isomeric SMILES

CCN(CC)C1=CC(=O)C(=CC(=C1)SCC(=O)O)O

InChI

InChI=1S/C13H17NO4S/c1-3-14(4-2)9-5-10(19-8-13(17)18)7-12(16)11(15)6-9/h5-7H,3-4,8H2,1-2H3,(H,15,16)(H,17,18)