[4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] 3-methyl-3-sulfanyl-butanoate

Systemtic Name: [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] 3-methyl-3-sulfanyl-butanoate Openeye Name: [4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] 3-methyl-3-sulfanyl-butanoate CAS Name: 3-mercapto-3-methylbutanoic acid [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] ester IUPAC Name: [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] 3-methyl-3-sulfanylbutanoate Traditional Name: 3-mercapto-3-methyl-butyric acid [4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] ester Formula: C19H31NO3S MolecularWeight: 353.51934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC(=O)CC(C)(C)S)C(C)C)OCCN(C)C

Isomeric SMILES

CC1=CC(=C(C=C1OC(=O)CC(C)(C)S)C(C)C)OCCN(C)C

InChI

InChI=1S/C19H31NO3S/c1-13(2)15-11-16(23-18(21)12-19(4,5)24)14(3)10-17(15)22-9-8-20(6)7/h10-11,13,24H,8-9,12H2,1-7H3