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

Systemtic Name: ethyl 4-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-5-oxidanyl-1-(phenylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-4-[(4-chlorophenyl)sulfanylmethyl]-5-hydroxy-2-methyl-indole-3-carboxylate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]-5-hydroxy-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-[(4-chlorophenyl)sulfanylmethyl]-5-hydroxy-2-methylindole-3-carboxylate Traditional Name: 1-benzyl-4-[[(4-chlorophenyl)thio]methyl]-5-hydroxy-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C26H24ClNO3S MolecularWeight: 465.99166

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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)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CSC3=CC=C(C=C3)Cl)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H24ClNO3S/c1-3-31-26(30)24-17(2)28(15-18-7-5-4-6-8-18)22-13-14-23(29)21(25(22)24)16-32-20-11-9-19(27)10-12-20/h4-14,29H,3,15-16H2,1-2H3