ethyl 3-(3-tert-butylsulfanyl-6-methoxy-1-methyl-indol-2-yl)-2,2-dimethyl-propanoate

Systemtic Name: ethyl 3-(3-tert-butylsulfanyl-6-methoxy-1-methyl-indol-2-yl)-2,2-dimethyl-propanoate Openeye Name: ethyl 3-(3-tert-butylsulfanyl-6-methoxy-1-methyl-indol-2-yl)-2,2-dimethyl-propanoate CAS Name: 3-[3-(tert-butylthio)-6-methoxy-1-methyl-2-indolyl]-2,2-dimethylpropanoic acid ethyl ester IUPAC Name: ethyl 3-(3-tert-butylsulfanyl-6-methoxy-1-methylindol-2-yl)-2,2-dimethylpropanoate Traditional Name: 3-[3-(tert-butylthio)-6-methoxy-1-methyl-indol-2-yl]-2,2-dimethyl-propionic acid ethyl ester Formula: C21H31NO3S MolecularWeight: 377.54074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CC1=C(C2=C(N1C)C=C(C=C2)OC)SC(C)(C)C

Isomeric SMILES

CCOC(=O)C(C)(C)CC1=C(C2=C(N1C)C=C(C=C2)OC)SC(C)(C)C

InChI

InChI=1S/C21H31NO3S/c1-9-25-19(23)21(5,6)13-17-18(26-20(2,3)4)15-11-10-14(24-8)12-16(15)22(17)7/h10-12H,9,13H2,1-8H3