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

Systemtic Name: ethyl 6-bromanyl-1-butyl-2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-butyl-2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-indole-3-carboxylate CAS Name: 6-bromo-1-butyl-2-[[(4-chlorophenyl)thio]methyl]-5-methoxy-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-butyl-2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxyindole-3-carboxylate Traditional Name: 6-bromo-1-butyl-2-[[(4-chlorophenyl)thio]methyl]-5-methoxy-indole-3-carboxylic acid ethyl ester Formula: C23H25BrClNO3S MolecularWeight: 510.8715

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC(=C(C=C2C(=C1CSC3=CC=C(C=C3)Cl)C(=O)OCC)OC)Br

Isomeric SMILES

CCCCN1C2=CC(=C(C=C2C(=C1CSC3=CC=C(C=C3)Cl)C(=O)OCC)OC)Br

InChI

InChI=1S/C23H25BrClNO3S/c1-4-6-11-26-19-13-18(24)21(28-3)12-17(19)22(23(27)29-5-2)20(26)14-30-16-9-7-15(25)8-10-16/h7-10,12-13H,4-6,11,14H2,1-3H3