2-chloranylethanoic acid; 2-(phenylmethyl)-5H-1,2-thiazole

Systemtic Name: 2-chloranylethanoic acid; 2-(phenylmethyl)-5H-1,2-thiazole Openeye Name: 2-benzyl-5H-isothiazole; 2-chloroacetic acid CAS Name: 2-chloroacetic acid; 2-(phenylmethyl)-5H-isothiazole IUPAC Name: 2-benzyl-5H-1,2-thiazole; 2-chloroacetic acid Traditional Name: 2-benzyl-3-isothiazoline; 2-chloroacetic acid Formula: C12H14ClNO2S MolecularWeight: 271.76306

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CN(S1)CC2=CC=CC=C2.C(C(=O)O)Cl

Isomeric SMILES

C1C=CN(S1)CC2=CC=CC=C2.C(C(=O)O)Cl

InChI

InChI=1S/C10H11NS.C2H3ClO2/c1-2-5-10(6-3-1)9-11-7-4-8-12-11;3-1-2(4)5/h1-7H,8-9H2;1H2,(H,4,5)