[4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] 3-methyl-3-(2,4,6-trimethoxyphenyl)sulfanyl-butanoate

Systemtic Name: [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] 3-methyl-3-(2,4,6-trimethoxyphenyl)sulfanyl-butanoate Openeye Name: [4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] 3-methyl-3-(2,4,6-trimethoxyphenyl)sulfanyl-butanoate CAS Name: 3-methyl-3-[(2,4,6-trimethoxyphenyl)thio]butanoic 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-(2,4,6-trimethoxyphenyl)sulfanylbutanoate Traditional Name: 3-methyl-3-[(2,4,6-trimethoxyphenyl)thio]butyric acid [4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] ester Formula: C28H41NO6S MolecularWeight: 519.69324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC(=O)CC(C)(C)SC2=C(C=C(C=C2OC)OC)OC)C(C)C)OCCN(C)C

Isomeric SMILES

CC1=CC(=C(C=C1OC(=O)CC(C)(C)SC2=C(C=C(C=C2OC)OC)OC)C(C)C)OCCN(C)C

InChI

InChI=1S/C28H41NO6S/c1-18(2)21-16-22(19(3)13-23(21)34-12-11-29(6)7)35-26(30)17-28(4,5)36-27-24(32-9)14-20(31-8)15-25(27)33-10/h13-16,18H,11-12,17H2,1-10H3