4-chloranyl-2-(2-methylpropyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: 4-chloranyl-2-(2-methylpropyl)-1,3-benzothiazole-6-carboxylate Openeye Name: 4-chloro-2-isobutyl-1,3-benzothiazole-6-carboxylate CAS Name: 4-chloro-2-(2-methylpropyl)-1,3-benzothiazole-6-carboxylate IUPAC Name: 4-chloro-2-(2-methylpropyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 4-chloro-2-isobutyl-1,3-benzothiazole-6-carboxylate Formula: C12H11ClNO2S- MolecularWeight: 268.73924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC2=C(S1)C=C(C=C2Cl)C(=O)[O-]

Isomeric SMILES

CC(C)CC1=NC2=C(S1)C=C(C=C2Cl)C(=O)[O-]

InChI

InChI=1S/C12H12ClNO2S/c1-6(2)3-10-14-11-8(13)4-7(12(15)16)5-9(11)17-10/h4-6H,3H2,1-2H3,(H,15,16)/p-1