methyl 4-bromanyl-3-(hexylsulfanylmethyl)-1-oxidanyl-indole-2-carboxylate

Systemtic Name: methyl 4-bromanyl-3-(hexylsulfanylmethyl)-1-oxidanyl-indole-2-carboxylate Openeye Name: methyl 4-bromo-3-(hexylsulfanylmethyl)-1-hydroxy-indole-2-carboxylate CAS Name: 4-bromo-3-[(hexylthio)methyl]-1-hydroxy-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 4-bromo-3-(hexylsulfanylmethyl)-1-hydroxyindole-2-carboxylate Traditional Name: 4-bromo-3-[(hexylthio)methyl]-1-hydroxy-indole-2-carboxylic acid methyl ester Formula: C17H22BrNO3S MolecularWeight: 400.33048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCC1=C(N(C2=C1C(=CC=C2)Br)O)C(=O)OC

Isomeric SMILES

CCCCCCSCC1=C(N(C2=C1C(=CC=C2)Br)O)C(=O)OC

InChI

InChI=1S/C17H22BrNO3S/c1-3-4-5-6-10-23-11-12-15-13(18)8-7-9-14(15)19(21)16(12)17(20)22-2/h7-9,21H,3-6,10-11H2,1-2H3