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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC1CCCC(C1C)NC(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C20H27NO3S2/c1-13-4-3-5-17(14(13)2)21-18(22)12-24-19(23)15-6-8-16(9-7-15)20-25-10-11-26-20/h6-9,13-14,17,20H,3-5,10-12H2,1-2H3,(H,21,22)