[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NCCCC2=CC=CC=C2

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NCCCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O4S/c1-24(2)21(26)16-29-19-13-7-6-12-18(19)22(27)28-15-20(25)23-14-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-13H,8,11,14-16H2,1-2H3,(H,23,25)