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

Systemtic Name: ethyl 6-bromanyl-2-[(4-ethylphenyl)sulfanylmethyl]-1-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-[(4-ethylphenyl)sulfanylmethyl]-5-hydroxy-1-methyl-indole-3-carboxylate CAS Name: 6-bromo-2-[[(4-ethylphenyl)thio]methyl]-5-hydroxy-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[(4-ethylphenyl)sulfanylmethyl]-5-hydroxy-1-methylindole-3-carboxylate Traditional Name: 6-bromo-2-[[(4-ethylphenyl)thio]methyl]-5-hydroxy-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C21H22BrNO3S MolecularWeight: 448.37328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SCC2=C(C3=CC(=C(C=C3N2C)Br)O)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)SCC2=C(C3=CC(=C(C=C3N2C)Br)O)C(=O)OCC

InChI

InChI=1S/C21H22BrNO3S/c1-4-13-6-8-14(9-7-13)27-12-18-20(21(25)26-5-2)15-10-19(24)16(22)11-17(15)23(18)3/h6-11,24H,4-5,12H2,1-3H3