ethyl 3-tert-butylsulfanyl-5-methoxy-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-tert-butylsulfanyl-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-tert-butylsulfanyl-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-(tert-butylthio)-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-tert-butylsulfanyl-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-(tert-butylthio)-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)SC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)SC(C)(C)C

InChI

InChI=1S/C16H21NO3S/c1-6-20-15(18)13-14(21-16(2,3)4)11-9-10(19-5)7-8-12(11)17-13/h7-9,17H,6H2,1-5H3