3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanoate

Systemtic Name: 3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanoate Openeye Name: 3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanoate IUPAC Name: 3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propionate Formula: C10H12NO2S- MolecularWeight: 210.27278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)CCC(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)CCC(=O)[O-]

InChI

InChI=1S/C10H13NO2S/c12-10(13)6-5-9-11-7-3-1-2-4-8(7)14-9/h1-6H2,(H,12,13)/p-1