2-(1,3-benzoxazol-2-ylsulfanyl)-3-(2-ethylhexylamino)-2-methyl-3-oxidanylidene-propanoic acid

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-3-(2-ethylhexylamino)-2-methyl-3-oxidanylidene-propanoic acid Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-3-(2-ethylhexylamino)-2-methyl-3-oxo-propanoic acid CAS Name: 2-(1,3-benzoxazol-2-ylthio)-3-(2-ethylhexylamino)-2-methyl-3-oxopropanoic acid IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-3-(2-ethylhexylamino)-2-methyl-3-oxopropanoic acid Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-3-(2-ethylhexylamino)-3-keto-2-methyl-propionic acid Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C(C)(C(=O)O)SC1=NC2=CC=CC=C2O1

Isomeric SMILES

CCCCC(CC)CNC(=O)C(C)(C(=O)O)SC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C19H26N2O4S/c1-4-6-9-13(5-2)12-20-16(22)19(3,17(23)24)26-18-21-14-10-7-8-11-15(14)25-18/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H,20,22)(H,23,24)