[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-[4-(1,3-dithian-2-yl)phenoxy]ethanoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-[4-(1,3-dithian-2-yl)phenoxy]ethanoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 2-[4-(1,3-dithian-2-yl)phenoxy]acetate CAS Name: 2-[4-(1,3-dithian-2-yl)phenoxy]acetic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 2-[4-(1,3-dithian-2-yl)phenoxy]acetate Traditional Name: 2-[4-(1,3-dithian-2-yl)phenoxy]acetic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C22H21NO4S2 MolecularWeight: 427.53644

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)OCC(=O)OCC(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)OCC(=O)OCC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H21NO4S2/c24-20(18-12-23-19-5-2-1-4-17(18)19)13-27-21(25)14-26-16-8-6-15(7-9-16)22-28-10-3-11-29-22/h1-2,4-9,12,22-23H,3,10-11,13-14H2