methyl 3-cyclohexyl-2-[2-(2-hydroxyethylsulfanyl)phenyl]-1H-indole-6-carboxylate

Systemtic Name: methyl 3-cyclohexyl-2-[2-(2-hydroxyethylsulfanyl)phenyl]-1H-indole-6-carboxylate Openeye Name: methyl 3-cyclohexyl-2-[2-(2-hydroxyethylsulfanyl)phenyl]-1H-indole-6-carboxylate CAS Name: 3-cyclohexyl-2-[2-(2-hydroxyethylthio)phenyl]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-cyclohexyl-2-[2-(2-hydroxyethylsulfanyl)phenyl]-1H-indole-6-carboxylate Traditional Name: 3-cyclohexyl-2-[2-(2-hydroxyethylthio)phenyl]-1H-indole-6-carboxylic acid methyl ester Formula: C24H27NO3S MolecularWeight: 409.54108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=C(N2)C3=CC=CC=C3SCCO)C4CCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=C(N2)C3=CC=CC=C3SCCO)C4CCCCC4

InChI

InChI=1S/C24H27NO3S/c1-28-24(27)17-11-12-18-20(15-17)25-23(22(18)16-7-3-2-4-8-16)19-9-5-6-10-21(19)29-14-13-26/h5-6,9-12,15-16,25-26H,2-4,7-8,13-14H2,1H3