4-chloranyl-7-methoxy-2-(propoxymethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: 4-chloranyl-7-methoxy-2-(propoxymethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: 4-chloro-7-methoxy-2-(propoxymethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 4-chloro-7-methoxy-2-(propoxymethyl)-1,3-benzothiazole-6-carboxylate IUPAC Name: 4-chloro-7-methoxy-2-(propoxymethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 4-chloro-7-methoxy-2-(propoxymethyl)-1,3-benzothiazole-6-carboxylate Formula: C13H13ClNO4S- MolecularWeight: 314.76462

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC1=NC2=C(C=C(C(=C2S1)OC)C(=O)[O-])Cl

Isomeric SMILES

CCCOCC1=NC2=C(C=C(C(=C2S1)OC)C(=O)[O-])Cl

InChI

InChI=1S/C13H14ClNO4S/c1-3-4-19-6-9-15-10-8(14)5-7(13(16)17)11(18-2)12(10)20-9/h5H,3-4,6H2,1-2H3,(H,16,17)/p-1