2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-3-methyl-butanoic acid

Systemtic Name: 2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-3-methyl-butanoic acid Openeye Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-3-methyl-butanoic acid CAS Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-3-methylbutanoic acid IUPAC Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-3-methylbutanoic acid Traditional Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-3-methyl-butyric acid Formula: C12H12ClNO3S MolecularWeight: 285.74658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SC1=NC2=C(O1)C=CC(=C2)Cl

Isomeric SMILES

CC(C)C(C(=O)O)SC1=NC2=C(O1)C=CC(=C2)Cl

InChI

InChI=1S/C12H12ClNO3S/c1-6(2)10(11(15)16)18-12-14-8-5-7(13)3-4-9(8)17-12/h3-6,10H,1-2H3,(H,15,16)