ethyl 2-methyl-5-oxidanyl-1-(2-phenylsulfanylethyl)indole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-oxidanyl-1-(2-phenylsulfanylethyl)indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-methyl-1-(2-phenylsulfanylethyl)indole-3-carboxylate CAS Name: 5-hydroxy-2-methyl-1-[2-(phenylthio)ethyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-1-(2-phenylsulfanylethyl)indole-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-1-[2-(phenylthio)ethyl]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)CCSC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)CCSC3=CC=CC=C3)C

InChI

InChI=1S/C20H21NO3S/c1-3-24-20(23)19-14(2)21(18-10-9-15(22)13-17(18)19)11-12-25-16-7-5-4-6-8-16/h4-10,13,22H,3,11-12H2,1-2H3