2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-pyrrolidino-propan-1-one Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)N3CCCC3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)N3CCCC3

InChI

InChI=1S/C16H21N3O2S/c1-3-21-12-6-7-13-14(10-12)18-16(17-13)22-11(2)15(20)19-8-4-5-9-19/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,18)