[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C22H23NO4S2 MolecularWeight: 429.55232

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C22H23NO4S2/c1-2-20(25)23-18-10-8-15(9-11-18)19(24)14-27-21(26)16-4-6-17(7-5-16)22-28-12-3-13-29-22/h4-11,22H,2-3,12-14H2,1H3,(H,23,25)