(2S)-3-(1,3-benzothiazol-2-yl)-2-cyclopropyl-2-methyl-propanoic acid

Systemtic Name: (2S)-3-(1,3-benzothiazol-2-yl)-2-cyclopropyl-2-methyl-propanoic acid Openeye Name: (2S)-3-(1,3-benzothiazol-2-yl)-2-cyclopropyl-2-methyl-propanoic acid CAS Name: (2S)-3-(1,3-benzothiazol-2-yl)-2-cyclopropyl-2-methylpropanoic acid IUPAC Name: (2S)-3-(1,3-benzothiazol-2-yl)-2-cyclopropyl-2-methylpropanoic acid Traditional Name: (2S)-3-(1,3-benzothiazol-2-yl)-2-cyclopropyl-2-methyl-propionic acid Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NC2=CC=CC=C2S1)(C3CC3)C(=O)O

Isomeric SMILES

C[C@](CC1=NC2=CC=CC=C2S1)(C3CC3)C(=O)O

InChI

InChI=1S/C14H15NO2S/c1-14(13(16)17,9-6-7-9)8-12-15-10-4-2-3-5-11(10)18-12/h2-5,9H,6-8H2,1H3,(H,16,17)/t14-/m0/s1