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

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H27NO3S2 MolecularWeight: 393.56328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C20H27NO3S2/c1-14(18(22)21-17-6-4-2-3-5-7-17)24-19(23)15-8-10-16(11-9-15)20-25-12-13-26-20/h8-11,14,17,20H,2-7,12-13H2,1H3,(H,21,22)