methyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-6-methoxy-indol-2-yl]-2,2-dimethyl-propanoate

Systemtic Name: methyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-6-methoxy-indol-2-yl]-2,2-dimethyl-propanoate Openeye Name: methyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-6-methoxy-indol-2-yl]-2,2-dimethyl-propanoate CAS Name: 3-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-6-methoxy-2-indolyl]-2,2-dimethylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-6-methoxyindol-2-yl]-2,2-dimethylpropanoate Traditional Name: 3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-6-methoxy-indol-2-yl]-2,2-dimethyl-propionic acid methyl ester Formula: C26H32ClNO3S MolecularWeight: 474.05518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(N(C2=C1C=CC(=C2)OC)CC3=CC=C(C=C3)Cl)CC(C)(C)C(=O)OC

Isomeric SMILES

CC(C)(C)SC1=C(N(C2=C1C=CC(=C2)OC)CC3=CC=C(C=C3)Cl)CC(C)(C)C(=O)OC

InChI

InChI=1S/C26H32ClNO3S/c1-25(2,3)32-23-20-13-12-19(30-6)14-21(20)28(16-17-8-10-18(27)11-9-17)22(23)15-26(4,5)24(29)31-7/h8-14H,15-16H2,1-7H3