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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)Br)O)C)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)Br)O)C)SCC3=CC=C(C=C3)Cl

InChI

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