1-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethyl-pyrrol-3-yl]-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethyl-pyrrol-3-yl]-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[1-[(1S)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethyl-3-pyrrolyl]-2-[(1-phenethyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-(1-phenethylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-[1-[(1S)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-[(1-phenethylbenzimidazol-2-yl)thio]ethanone Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)COC)C)C(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1[C@@H](C)COC)C)C(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O2S/c1-19-16-23(21(3)30(19)20(2)17-32-4)26(31)18-33-27-28-24-12-8-9-13-25(24)29(27)15-14-22-10-6-5-7-11-22/h5-13,16,20H,14-15,17-18H2,1-4H3/t20-/m0/s1