4-chloranyl-7-methoxy-2-propyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: 4-chloranyl-7-methoxy-2-propyl-1,3-benzothiazole-6-carboxylate Openeye Name: 4-chloro-7-methoxy-2-propyl-1,3-benzothiazole-6-carboxylate CAS Name: 4-chloro-7-methoxy-2-propyl-1,3-benzothiazole-6-carboxylate IUPAC Name: 4-chloro-7-methoxy-2-propyl-1,3-benzothiazole-6-carboxylate Traditional Name: 4-chloro-7-methoxy-2-propyl-1,3-benzothiazole-6-carboxylate Formula: C12H11ClNO3S- MolecularWeight: 284.73864

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C(=C2S1)OC)C(=O)[O-])Cl

Isomeric SMILES

CCCC1=NC2=C(C=C(C(=C2S1)OC)C(=O)[O-])Cl

InChI

InChI=1S/C12H12ClNO3S/c1-3-4-8-14-9-7(13)5-6(12(15)16)10(17-2)11(9)18-8/h5H,3-4H2,1-2H3,(H,15,16)/p-1