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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C15H17NO3S2 MolecularWeight: 323.43038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

C1CC1NC(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C15H17NO3S2/c17-13(16-12-5-6-12)9-19-14(18)10-1-3-11(4-2-10)15-20-7-8-21-15/h1-4,12,15H,5-9H2,(H,16,17)