methyl 3-(3-tert-butylsulfanyl-5-methoxy-1H-indol-2-yl)-2,2-dimethyl-propanoate

Systemtic Name: methyl 3-(3-tert-butylsulfanyl-5-methoxy-1H-indol-2-yl)-2,2-dimethyl-propanoate Openeye Name: methyl 3-(3-tert-butylsulfanyl-5-methoxy-1H-indol-2-yl)-2,2-dimethyl-propanoate CAS Name: 3-[3-(tert-butylthio)-5-methoxy-1H-indol-2-yl]-2,2-dimethylpropanoic acid methyl ester IUPAC Name: methyl 3-(3-tert-butylsulfanyl-5-methoxy-1H-indol-2-yl)-2,2-dimethylpropanoate Traditional Name: 3-[3-(tert-butylthio)-5-methoxy-1H-indol-2-yl]-2,2-dimethyl-propionic acid methyl ester Formula: C19H27NO3S MolecularWeight: 349.48758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(NC2=C1C=C(C=C2)OC)CC(C)(C)C(=O)OC

Isomeric SMILES

CC(C)(C)SC1=C(NC2=C1C=C(C=C2)OC)CC(C)(C)C(=O)OC

InChI

InChI=1S/C19H27NO3S/c1-18(2,3)24-16-13-10-12(22-6)8-9-14(13)20-15(16)11-19(4,5)17(21)23-7/h8-10,20H,11H2,1-7H3