3-[2-azanyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-5-yl]propanoic acid

Systemtic Name: 3-[2-azanyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-5-yl]propanoic acid Openeye Name: 3-[2-amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)thiazol-5-yl]propanoic acid CAS Name: 3-[2-amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiazolyl]propanoic acid IUPAC Name: 3-[2-amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-5-yl]propanoic acid Traditional Name: 3-[2-amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)thiazol-5-yl]propionic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=C(SC(=N3)N)CCC(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=C(SC(=N3)N)CCC(=O)O

InChI

InChI=1S/C14H14N2O4S/c15-14-16-13(11(21-14)3-4-12(17)18)8-1-2-9-10(7-8)20-6-5-19-9/h1-2,7H,3-6H2,(H2,15,16)(H,17,18)