(3-propan-2-ylphenyl) 4-(2-dimethylaminoethyloxy)-2,3-dimethyl-3-sulfanyl-butanoate

Systemtic Name: (3-propan-2-ylphenyl) 4-(2-dimethylaminoethyloxy)-2,3-dimethyl-3-sulfanyl-butanoate Openeye Name: (3-isopropylphenyl) 4-(2-dimethylaminoethyloxy)-2,3-dimethyl-3-sulfanyl-butanoate CAS Name: 4-(2-dimethylaminoethyloxy)-3-mercapto-2,3-dimethylbutanoic acid (3-propan-2-ylphenyl) ester IUPAC Name: (3-propan-2-ylphenyl) 4-(2-dimethylaminoethyloxy)-2,3-dimethyl-3-sulfanylbutanoate Traditional Name: 4-(2-dimethylaminoethyloxy)-3-mercapto-2,3-dimethyl-butyric acid m-cumenyl ester Formula: C19H31NO3S MolecularWeight: 353.51934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OC(=O)C(C)C(C)(COCCN(C)C)S

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OC(=O)C(C)C(C)(COCCN(C)C)S

InChI

InChI=1S/C19H31NO3S/c1-14(2)16-8-7-9-17(12-16)23-18(21)15(3)19(4,24)13-22-11-10-20(5)6/h7-9,12,14-15,24H,10-11,13H2,1-6H3