ethyl 6-bromanyl-1-cyclohexyl-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-cyclohexyl-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-cyclohexyl-5-hydroxy-2-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 6-bromo-1-cyclohexyl-5-hydroxy-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-cyclohexyl-5-hydroxy-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-1-cyclohexyl-5-hydroxy-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C24H26BrNO3S MolecularWeight: 488.43714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3CCCCC3)CSC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3CCCCC3)CSC4=CC=CC=C4

InChI

InChI=1S/C24H26BrNO3S/c1-2-29-24(28)23-18-13-22(27)19(25)14-20(18)26(16-9-5-3-6-10-16)21(23)15-30-17-11-7-4-8-12-17/h4,7-8,11-14,16,27H,2-3,5-6,9-10,15H2,1H3