ethyl 1-ethyl-2-methyl-5-(2-phenylsulfanylethanoyloxy)indole-3-carboxylate

Systemtic Name: ethyl 1-ethyl-2-methyl-5-(2-phenylsulfanylethanoyloxy)indole-3-carboxylate Openeye Name: ethyl 1-ethyl-2-methyl-5-(2-phenylsulfanylacetyl)oxy-indole-3-carboxylate CAS Name: 1-ethyl-2-methyl-5-[1-oxo-2-(phenylthio)ethoxy]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-5-(2-phenylsulfanylacetyl)oxyindole-3-carboxylate Traditional Name: 1-ethyl-2-methyl-5-[2-(phenylthio)acetyl]oxy-indole-3-carboxylic acid ethyl ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=C1C=CC(=C2)OC(=O)CSC3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C2=C1C=CC(=C2)OC(=O)CSC3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C22H23NO4S/c1-4-23-15(3)21(22(25)26-5-2)18-13-16(11-12-19(18)23)27-20(24)14-28-17-9-7-6-8-10-17/h6-13H,4-5,14H2,1-3H3