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

Systemtic Name: ethyl 6-bromanyl-2-[(4-chlorophenyl)sulfanylmethyl]-1-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-[(4-chlorophenyl)sulfanylmethyl]-5-hydroxy-1-methyl-indole-3-carboxylate CAS Name: 6-bromo-2-[[(4-chlorophenyl)thio]methyl]-5-hydroxy-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[(4-chlorophenyl)sulfanylmethyl]-5-hydroxy-1-methylindole-3-carboxylate Traditional Name: 6-bromo-2-[[(4-chlorophenyl)thio]methyl]-5-hydroxy-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C19H17BrClNO3S MolecularWeight: 454.76518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrClNO3S/c1-3-25-19(24)18-13-8-17(23)14(20)9-15(13)22(2)16(18)10-26-12-6-4-11(21)5-7-12/h4-9,23H,3,10H2,1-2H3