2-methylbutyl 3-phenylsulfanyl-1H-indole-2-carboxylate

Systemtic Name: 2-methylbutyl 3-phenylsulfanyl-1H-indole-2-carboxylate Openeye Name: 2-methylbutyl 3-phenylsulfanyl-1H-indole-2-carboxylate CAS Name: 3-(phenylthio)-1H-indole-2-carboxylic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 3-phenylsulfanyl-1H-indole-2-carboxylate Traditional Name: 3-(phenylthio)-1H-indole-2-carboxylic acid 2-methylbutyl ester Formula: C20H21NO2S MolecularWeight: 339.45124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC(=O)C1=C(C2=CC=CC=C2N1)SC3=CC=CC=C3

Isomeric SMILES

CCC(C)COC(=O)C1=C(C2=CC=CC=C2N1)SC3=CC=CC=C3

InChI

InChI=1S/C20H21NO2S/c1-3-14(2)13-23-20(22)18-19(24-15-9-5-4-6-10-15)16-11-7-8-12-17(16)21-18/h4-12,14,21H,3,13H2,1-2H3