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

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-[(4-bromophenyl)sulfanylmethyl]-1-methyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-[(4-bromophenyl)sulfanylmethyl]-1-methyl-indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[[(4-bromophenyl)thio]methyl]-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-[(4-bromophenyl)sulfanylmethyl]-1-methylindole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-2-[[(4-bromophenyl)thio]methyl]-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C21H19Br2NO4S MolecularWeight: 541.25286

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H19Br2NO4S/c1-4-27-21(26)20-15-9-19(28-12(2)25)16(23)10-17(15)24(3)18(20)11-29-14-7-5-13(22)6-8-14/h5-10H,4,11H2,1-3H3