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

Systemtic Name: [2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [2-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-keto-2-[(2-phenylacetyl)amino]ethyl] ester Formula: C21H21NO4S2 MolecularWeight: 415.52574

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H21NO4S2/c23-18(13-15-5-2-1-3-6-15)22-19(24)14-26-20(25)16-7-9-17(10-8-16)21-27-11-4-12-28-21/h1-3,5-10,21H,4,11-14H2,(H,22,23,24)