ethyl 6-bromanyl-5-methoxy-1-methyl-2-[(phenylmethylsulfanyl)methyl]indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-methoxy-1-methyl-2-[(phenylmethylsulfanyl)methyl]indole-3-carboxylate Openeye Name: ethyl 2-(benzylsulfanylmethyl)-6-bromo-5-methoxy-1-methyl-indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-1-methyl-2-[(phenylmethylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzylsulfanylmethyl)-6-bromo-5-methoxy-1-methylindole-3-carboxylate Traditional Name: 2-[(benzylthio)methyl]-6-bromo-5-methoxy-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C21H22BrNO3S MolecularWeight: 448.37328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CSCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CSCC3=CC=CC=C3

InChI

InChI=1S/C21H22BrNO3S/c1-4-26-21(24)20-15-10-19(25-3)16(22)11-17(15)23(2)18(20)13-27-12-14-8-6-5-7-9-14/h5-11H,4,12-13H2,1-3H3