[1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H23NO3S2 MolecularWeight: 365.51012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC(C(=O)NC1CCCC1)OC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C18H23NO3S2/c1-12(16(20)19-15-4-2-3-5-15)22-17(21)13-6-8-14(9-7-13)18-23-10-11-24-18/h6-9,12,15,18H,2-5,10-11H2,1H3,(H,19,20)