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

Systemtic Name: ethyl 1-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 1-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]-5-hydroxy-2-methyl-indole-3-carboxylate CAS Name: 1-(3-chlorophenyl)-4-[[(4-chlorophenyl)thio]methyl]-5-hydroxy-2-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]-5-hydroxy-2-methylindole-3-carboxylate Traditional Name: 1-(3-chlorophenyl)-4-[[(4-chlorophenyl)thio]methyl]-5-hydroxy-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C25H21Cl2NO3S MolecularWeight: 486.41014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CSC3=CC=C(C=C3)Cl)C4=CC(=CC=C4)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CSC3=CC=C(C=C3)Cl)C4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C25H21Cl2NO3S/c1-3-31-25(30)23-15(2)28(18-6-4-5-17(27)13-18)21-11-12-22(29)20(24(21)23)14-32-19-9-7-16(26)8-10-19/h4-13,29H,3,14H2,1-2H3