(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-[(4-methylcyclohexyl)amino]ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H31NO4S MolecularWeight: 405.55084

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)CSC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)CSC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C22H31NO4S/c1-15-9-11-16(12-10-15)23-20(25)14-28-18-8-6-5-7-17(18)21(26)27-13-19(24)22(2,3)4/h5-8,15-16H,9-14H2,1-4H3,(H,23,25)