(4S)-4-ethoxycarbonyl-4-(1,3-thiazol-4-yl)octanoic acid

Systemtic Name: (4S)-4-ethoxycarbonyl-4-(1,3-thiazol-4-yl)octanoic acid Openeye Name: (4S)-4-ethoxycarbonyl-4-thiazol-4-yl-octanoic acid CAS Name: (4S)-4-ethoxycarbonyl-4-(4-thiazolyl)octanoic acid IUPAC Name: (4S)-4-ethoxycarbonyl-4-(1,3-thiazol-4-yl)octanoic acid Traditional Name: (4S)-4-carbethoxy-4-thiazol-4-yl-caprylic acid Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)O)(C1=CSC=N1)C(=O)OCC

Isomeric SMILES

CCCC[C@](CCC(=O)O)(C1=CSC=N1)C(=O)OCC

InChI

InChI=1S/C14H21NO4S/c1-3-5-7-14(8-6-12(16)17,13(18)19-4-2)11-9-20-10-15-11/h9-10H,3-8H2,1-2H3,(H,16,17)/t14-/m0/s1