4-(2-azanyl-1,3-thiazol-5-yl)-4-ethoxycarbonyl-octanoic acid

Systemtic Name: 4-(2-azanyl-1,3-thiazol-5-yl)-4-ethoxycarbonyl-octanoic acid Openeye Name: 4-(2-aminothiazol-5-yl)-4-ethoxycarbonyl-octanoic acid CAS Name: 4-(2-amino-5-thiazolyl)-4-ethoxycarbonyloctanoic acid IUPAC Name: 4-(2-amino-1,3-thiazol-5-yl)-4-ethoxycarbonyloctanoic acid Traditional Name: 4-(2-aminothiazol-5-yl)-4-carbethoxy-caprylic acid Formula: C14H22N2O4S MolecularWeight: 314.40048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)O)(C1=CN=C(S1)N)C(=O)OCC

Isomeric SMILES

CCCCC(CCC(=O)O)(C1=CN=C(S1)N)C(=O)OCC

InChI

InChI=1S/C14H22N2O4S/c1-3-5-7-14(8-6-11(17)18,12(19)20-4-2)10-9-16-13(15)21-10/h9H,3-8H2,1-2H3,(H2,15,16)(H,17,18)