(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propan-1-one

Systemtic Name: (2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propan-1-one Openeye Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propan-1-one CAS Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]-1-propanone IUPAC Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropan-1-one Traditional Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]thio]propan-1-one Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)SC2=NC3=CC=CC=C3N2CCOC

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)SC2=NC3=CC=CC=C3N2CCOC

InChI

InChI=1S/C21H25N3O3S/c1-12-18(14(3)25)13(2)22-19(12)20(26)15(4)28-21-23-16-8-6-7-9-17(16)24(21)10-11-27-5/h6-9,15,22H,10-11H2,1-5H3/t15-/m0/s1