methyl 2-bromanyl-3-cyclohexyl-1-(phenylsulfanylmethyl)indole-6-carboxylate

Systemtic Name: methyl 2-bromanyl-3-cyclohexyl-1-(phenylsulfanylmethyl)indole-6-carboxylate Openeye Name: methyl 2-bromo-3-cyclohexyl-1-(phenylsulfanylmethyl)indole-6-carboxylate CAS Name: 2-bromo-3-cyclohexyl-1-[(phenylthio)methyl]-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 2-bromo-3-cyclohexyl-1-(phenylsulfanylmethyl)indole-6-carboxylate Traditional Name: 2-bromo-3-cyclohexyl-1-[(phenylthio)methyl]indole-6-carboxylic acid methyl ester Formula: C23H24BrNO2S MolecularWeight: 458.41116

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=C(N2CSC3=CC=CC=C3)Br)C4CCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=C(N2CSC3=CC=CC=C3)Br)C4CCCCC4

InChI

InChI=1S/C23H24BrNO2S/c1-27-23(26)17-12-13-19-20(14-17)25(15-28-18-10-6-3-7-11-18)22(24)21(19)16-8-4-2-5-9-16/h3,6-7,10-14,16H,2,4-5,8-9,15H2,1H3