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

Systemtic Name: ethyl 1-methyl-2-[(4-methylphenyl)sulfanylmethyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-1-methyl-2-(p-tolylsulfanylmethyl)indole-3-carboxylate CAS Name: 5-hydroxy-1-methyl-2-[[(4-methylphenyl)thio]methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-1-methyl-2-[(4-methylphenyl)sulfanylmethyl]indole-3-carboxylate Traditional Name: 5-hydroxy-1-methyl-2-[(p-tolylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO3S/c1-4-24-20(23)19-16-11-14(22)7-10-17(16)21(3)18(19)12-25-15-8-5-13(2)6-9-15/h5-11,22H,4,12H2,1-3H3