ethyl 1-methyl-7-sulfanyl-indole-2-carboxylate

Systemtic Name: ethyl 1-methyl-7-sulfanyl-indole-2-carboxylate Openeye Name: ethyl 1-methyl-7-sulfanyl-indole-2-carboxylate CAS Name: 7-mercapto-1-methyl-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-7-sulfanylindole-2-carboxylate Traditional Name: 7-mercapto-1-methyl-indole-2-carboxylic acid ethyl ester Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1C)C(=CC=C2)S

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1C)C(=CC=C2)S

InChI

InChI=1S/C12H13NO2S/c1-3-15-12(14)9-7-8-5-4-6-10(16)11(8)13(9)2/h4-7,16H,3H2,1-2H3