2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)thio]-1-[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)thio]-1-(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)ethanone Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NN=C(O3)C(C)(C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NN=C(O3)C(C)(C)C)C

InChI

InChI=1S/C22H27N3O3S/c1-7-27-17-10-8-16(9-11-17)25-14(2)12-18(15(25)3)19(26)13-29-21-24-23-20(28-21)22(4,5)6/h8-12H,7,13H2,1-6H3