2-[butyl-(7-oxidanylidene-3-phenoxy-6-sulfanyl-cyclohepta-1,3,5-trien-1-yl)amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[butyl-(7-oxidanylidene-3-phenoxy-6-sulfanyl-cyclohepta-1,3,5-trien-1-yl)amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[butyl-(7-oxo-3-phenoxy-6-sulfanyl-cyclohepta-1,3,5-trien-1-yl)amino]-2-oxo-acetic acid CAS Name: 2-[butyl-(6-mercapto-7-oxo-3-phenoxy-1-cyclohepta-1,3,5-trienyl)amino]-2-oxoacetic acid IUPAC Name: 2-[butyl-(7-oxo-3-phenoxy-6-sulfanylcyclohepta-1,3,5-trien-1-yl)amino]-2-oxoacetic acid Traditional Name: 2-[butyl-(7-keto-6-mercapto-3-phenoxy-cyclohepta-1,3,5-trien-1-yl)amino]-2-keto-acetic acid Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC(=CC=C(C1=O)S)OC2=CC=CC=C2)C(=O)C(=O)O

Isomeric SMILES

CCCCN(C1=CC(=CC=C(C1=O)S)OC2=CC=CC=C2)C(=O)C(=O)O

InChI

InChI=1S/C19H19NO5S/c1-2-3-11-20(18(22)19(23)24)15-12-14(9-10-16(26)17(15)21)25-13-7-5-4-6-8-13/h4-10,12H,2-3,11H2,1H3,(H,21,26)(H,23,24)