ethyl 6-bromanyl-5-methoxy-1-methyl-4-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-methoxy-1-methyl-4-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-4-hydroxy-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 6-bromo-4-hydroxy-5-methoxy-1-methyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-hydroxy-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-4-hydroxy-5-methoxy-1-methyl-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C20H20BrNO4S MolecularWeight: 450.3461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO4S/c1-4-26-20(24)17-15(11-27-12-8-6-5-7-9-12)22(2)14-10-13(21)19(25-3)18(23)16(14)17/h5-10,23H,4,11H2,1-3H3