dimethyl 3-ethyl-1,2-benzothiazole-5,6-dicarboxylate

Systemtic Name: dimethyl 3-ethyl-1,2-benzothiazole-5,6-dicarboxylate Openeye Name: dimethyl 3-ethyl-1,2-benzothiazole-5,6-dicarboxylate CAS Name: 3-ethyl-1,2-benzothiazole-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-ethyl-1,2-benzothiazole-5,6-dicarboxylate Traditional Name: 3-ethyl-1,2-benzothiazole-5,6-dicarboxylic acid dimethyl ester Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NSC2=CC(=C(C=C21)C(=O)OC)C(=O)OC

Isomeric SMILES

CCC1=NSC2=CC(=C(C=C21)C(=O)OC)C(=O)OC

InChI

InChI=1S/C13H13NO4S/c1-4-10-9-5-7(12(15)17-2)8(13(16)18-3)6-11(9)19-14-10/h5-6H,4H2,1-3H3