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

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C22H25NO3S2 MolecularWeight: 415.5688

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C22H25NO3S2/c24-20(23-13-4-8-17-6-2-1-3-7-17)16-26-21(25)18-9-11-19(12-10-18)22-27-14-5-15-28-22/h1-3,6-7,9-12,22H,4-5,8,13-16H2,(H,23,24)