4-hexoxycarbonyl-5-oxidanylidene-2-[[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]amino]hexanoic acid

Systemtic Name: 4-hexoxycarbonyl-5-oxidanylidene-2-[[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]amino]hexanoic acid Openeye Name: 4-hexoxycarbonyl-5-oxo-2-[3-(5-thioxo-2H-tetrazol-1-yl)anilino]hexanoic acid CAS Name: 4-[hexoxy(oxo)methyl]-5-oxo-2-[3-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]hexanoic acid IUPAC Name: 4-hexoxycarbonyl-5-oxo-2-[3-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]hexanoic acid Traditional Name: 4-hexoxycarbonyl-5-keto-2-[3-(5-thioxo-2H-tetrazol-1-yl)anilino]hexanoic acid Formula: C20H27N5O5S MolecularWeight: 449.52388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CC(C(=O)O)NC1=CC=CC(=C1)N2C(=S)N=NN2)C(=O)C

Isomeric SMILES

CCCCCCOC(=O)C(CC(C(=O)O)NC1=CC=CC(=C1)N2C(=S)N=NN2)C(=O)C

InChI

InChI=1S/C20H27N5O5S/c1-3-4-5-6-10-30-19(29)16(13(2)26)12-17(18(27)28)21-14-8-7-9-15(11-14)25-20(31)22-23-24-25/h7-9,11,16-17,21H,3-6,10,12H2,1-2H3,(H,27,28)(H,22,24,31)