2-chloranylethanoic acid; 2-(phenylmethyl)-1,2-thiazol-3-one

Systemtic Name: 2-chloranylethanoic acid; 2-(phenylmethyl)-1,2-thiazol-3-one Openeye Name: 2-benzylisothiazol-3-one; 2-chloroacetic acid CAS Name: 2-chloroacetic acid; 2-(phenylmethyl)-3-isothiazolone IUPAC Name: 2-benzyl-1,2-thiazol-3-one; 2-chloroacetic acid Traditional Name: 2-benzyl-4-isothiazolin-3-one; 2-chloroacetic acid Formula: C12H12ClNO3S MolecularWeight: 285.74658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C=CS2.C(C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C=CS2.C(C(=O)O)Cl

InChI

InChI=1S/C10H9NOS.C2H3ClO2/c12-10-6-7-13-11(10)8-9-4-2-1-3-5-9;3-1-2(4)5/h1-7H,8H2;1H2,(H,4,5)