[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: [(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [(1R)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [(1R)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H21NO3S2 MolecularWeight: 411.53704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)C4SCCCS4

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)C4SCCCS4

InChI

InChI=1S/C22H21NO3S2/c1-14(20(24)18-13-23-19-6-3-2-5-17(18)19)26-21(25)15-7-9-16(10-8-15)22-27-11-4-12-28-22/h2-3,5-10,13-14,22-23H,4,11-12H2,1H3/t14-/m1/s1