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

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-1-cyclohexyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-1-cyclohexyl-2-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-1-cyclohexyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-1-cyclohexyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-1-cyclohexyl-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C26H28BrNO4S MolecularWeight: 530.47382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28BrNO4S/c1-3-31-26(30)25-20-14-24(32-17(2)29)21(27)15-22(20)28(18-10-6-4-7-11-18)23(25)16-33-19-12-8-5-9-13-19/h5,8-9,12-15,18H,3-4,6-7,10-11,16H2,1-2H3