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

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-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-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C21H21NO4S2 MolecularWeight: 415.52574

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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)C3SCCS3

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C21H21NO4S2/c1-2-19(24)22-17-9-7-14(8-10-17)18(23)13-26-20(25)15-3-5-16(6-4-15)21-27-11-12-28-21/h3-10,21H,2,11-13H2,1H3,(H,22,24)