ethyl 3-[cyclohexylsulfanyl-[4-(trifluoromethyl)phenyl]methyl]-5-methoxy-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[cyclohexylsulfanyl-[4-(trifluoromethyl)phenyl]methyl]-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[cyclohexylsulfanyl-[4-(trifluoromethyl)phenyl]methyl]-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[(cyclohexylthio)-[4-(trifluoromethyl)phenyl]methyl]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[cyclohexylsulfanyl-[4-(trifluoromethyl)phenyl]methyl]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[(cyclohexylthio)-[4-(trifluoromethyl)phenyl]methyl]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C26H28F3NO3S MolecularWeight: 491.56563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)C(C3=CC=C(C=C3)C(F)(F)F)SC4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)C(C3=CC=C(C=C3)C(F)(F)F)SC4CCCCC4

InChI

InChI=1S/C26H28F3NO3S/c1-3-33-25(31)23-22(20-15-18(32-2)13-14-21(20)30-23)24(34-19-7-5-4-6-8-19)16-9-11-17(12-10-16)26(27,28)29/h9-15,19,24,30H,3-8H2,1-2H3