ethyl 1,4-dimethyl-5-sulfooxy-indole-2-carboxylate

Systemtic Name: ethyl 1,4-dimethyl-5-sulfooxy-indole-2-carboxylate Openeye Name: ethyl 1,4-dimethyl-5-sulfooxy-indole-2-carboxylate CAS Name: 1,4-dimethyl-5-sulfooxy-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,4-dimethyl-5-sulfooxyindole-2-carboxylate Traditional Name: 1,4-dimethyl-5-sulfoxy-indole-2-carboxylic acid ethyl ester Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1C)C=CC(=C2C)OS(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1C)C=CC(=C2C)OS(=O)(=O)O

InChI

InChI=1S/C13H15NO6S/c1-4-19-13(15)11-7-9-8(2)12(20-21(16,17)18)6-5-10(9)14(11)3/h5-7H,4H2,1-3H3,(H,16,17,18)