[(7R,7aR)-3-methylsulfanyl-7a-oxidanyl-2-oxidanylidene-1-phenethyl-4,5,6,7-tetrahydroindol-7-yl] ethanoate

Systemtic Name: [(7R,7aR)-3-methylsulfanyl-7a-oxidanyl-2-oxidanylidene-1-phenethyl-4,5,6,7-tetrahydroindol-7-yl] ethanoate Openeye Name: [(7R,7aR)-7a-hydroxy-3-methylsulfanyl-2-oxo-1-phenethyl-4,5,6,7-tetrahydroindol-7-yl] acetate CAS Name: acetic acid [(7R,7aR)-7a-hydroxy-3-(methylthio)-2-oxo-1-phenethyl-4,5,6,7-tetrahydroindol-7-yl] ester IUPAC Name: [(7R,7aR)-7a-hydroxy-3-methylsulfanyl-2-oxo-1-phenethyl-4,5,6,7-tetrahydroindol-7-yl] acetate Traditional Name: acetic acid [(7R,7aR)-7a-hydroxy-2-keto-3-(methylthio)-1-phenethyl-4,5,6,7-tetrahydroindol-7-yl] ester Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCC2=C(C(=O)N(C12O)CCC3=CC=CC=C3)SC

Isomeric SMILES

CC(=O)O[C@@H]1CCCC2=C(C(=O)N([C@]12O)CCC3=CC=CC=C3)SC

InChI

InChI=1S/C19H23NO4S/c1-13(21)24-16-10-6-9-15-17(25-2)18(22)20(19(15,16)23)12-11-14-7-4-3-5-8-14/h3-5,7-8,16,23H,6,9-12H2,1-2H3/t16-,19-/m1/s1