ethyl 5-acetyloxy-6-bromanyl-1-methyl-2-[(4-methylphenyl)sulfanylmethyl]indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-1-methyl-2-[(4-methylphenyl)sulfanylmethyl]indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-1-methyl-2-(p-tolylsulfanylmethyl)indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-1-methyl-2-[[(4-methylphenyl)thio]methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-1-methyl-2-[(4-methylphenyl)sulfanylmethyl]indole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-1-methyl-2-[(p-tolylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C22H22BrNO4S MolecularWeight: 476.38338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=CC=C(C=C3)C

InChI

InChI=1S/C22H22BrNO4S/c1-5-27-22(26)21-16-10-20(28-14(3)25)17(23)11-18(16)24(4)19(21)12-29-15-8-6-13(2)7-9-15/h6-11H,5,12H2,1-4H3