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

Systemtic Name: [2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [2-oxo-2-(2-phenoxyethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-keto-2-(2-phenoxyethylamino)ethyl] ester Formula: C21H23NO4S2 MolecularWeight: 417.54162

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC(=O)NCCOC3=CC=CC=C3

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC(=O)NCCOC3=CC=CC=C3

InChI

InChI=1S/C21H23NO4S2/c23-19(22-11-12-25-18-5-2-1-3-6-18)15-26-20(24)16-7-9-17(10-8-16)21-27-13-4-14-28-21/h1-3,5-10,21H,4,11-15H2,(H,22,23)