[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C17H23NO3S2 MolecularWeight: 353.49942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC=C(C=C1)C2SCCS2

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC=C(C=C1)C2SCCS2

InChI

InChI=1S/C17H23NO3S2/c1-3-14(4-2)18-15(19)11-21-16(20)12-5-7-13(8-6-12)17-22-9-10-23-17/h5-8,14,17H,3-4,9-11H2,1-2H3,(H,18,19)