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

Systemtic Name: ethyl 1-butyl-4-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 1-butyl-4-[(4-chlorophenyl)sulfanylmethyl]-5-hydroxy-2-methyl-indole-3-carboxylate CAS Name: 1-butyl-4-[[(4-chlorophenyl)thio]methyl]-5-hydroxy-2-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-4-[(4-chlorophenyl)sulfanylmethyl]-5-hydroxy-2-methylindole-3-carboxylate Traditional Name: 1-butyl-4-[[(4-chlorophenyl)thio]methyl]-5-hydroxy-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C23H26ClNO3S MolecularWeight: 431.97544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1C=CC(=C2CSC3=CC=C(C=C3)Cl)O)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=C(C2=C1C=CC(=C2CSC3=CC=C(C=C3)Cl)O)C(=O)OCC)C

InChI

InChI=1S/C23H26ClNO3S/c1-4-6-13-25-15(3)21(23(27)28-5-2)22-18(20(26)12-11-19(22)25)14-29-17-9-7-16(24)8-10-17/h7-12,26H,4-6,13-14H2,1-3H3