(2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-(4-morpholin-4-ylsulfonylphenoxy)-3-oxidanylidene-butanenitrile

Systemtic Name: (2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-(4-morpholin-4-ylsulfonylphenoxy)-3-oxidanylidene-butanenitrile Openeye Name: (2R)-2-(4-methylthiazol-2-yl)-4-(4-morpholinosulfonylphenoxy)-3-oxo-butanenitrile CAS Name: (2R)-2-(4-methyl-2-thiazolyl)-4-[4-(4-morpholinylsulfonyl)phenoxy]-3-oxobutanenitrile IUPAC Name: (2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-(4-morpholin-4-ylsulfonylphenoxy)-3-oxobutanenitrile Traditional Name: (2R)-3-keto-2-(4-methylthiazol-2-yl)-4-(4-morpholinosulfonylphenoxy)butyronitrile Formula: C18H19N3O5S2 MolecularWeight: 421.49056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H19N3O5S2/c1-13-12-27-18(20-13)16(10-19)17(22)11-26-14-2-4-15(5-3-14)28(23,24)21-6-8-25-9-7-21/h2-5,12,16H,6-9,11H2,1H3/t16-/m1/s1