(2R)-4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2R)-4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: (2R)-4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: (2R)-4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2R)-4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: (2R)-2-acetimidoyl-4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]thio]-3-keto-butyronitrile Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC(=O)C(C#N)C(=N)C)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCN1C(=CN=C1SCC(=O)[C@@H](C#N)C(=N)C)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H20N4O3S/c1-3-23-15(13-4-5-17-18(8-13)26-7-6-25-17)10-22-19(23)27-11-16(24)14(9-20)12(2)21/h4-5,8,10,14,21H,3,6-7,11H2,1-2H3/t14-/m0/s1