2-azanyl-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)propanoic acid

Systemtic Name: 2-azanyl-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)propanoic acid Openeye Name: 2-amino-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)propanoic acid CAS Name: 2-amino-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)propanoic acid IUPAC Name: 2-amino-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)propanoic acid Traditional Name: 2-amino-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)propionic acid Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)CC(C(=O)O)N

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)CC(C(=O)O)N

InChI

InChI=1S/C12H14N2O2S/c1-6-3-9-10(4-7(6)2)17-11(14-9)5-8(13)12(15)16/h3-4,8H,5,13H2,1-2H3,(H,15,16)