(2S)-4-[2-(4-methoxyphenyl)-4-nitro-phenoxy]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-4-[2-(4-methoxyphenyl)-4-nitro-phenoxy]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile Openeye Name: (2S)-4-[2-(4-methoxyphenyl)-4-nitro-phenoxy]-2-(4-methylthiazol-2-yl)-3-oxo-butanenitrile CAS Name: (2S)-4-[2-(4-methoxyphenyl)-4-nitrophenoxy]-2-(4-methyl-2-thiazolyl)-3-oxobutanenitrile IUPAC Name: (2S)-4-[2-(4-methoxyphenyl)-4-nitrophenoxy]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile Traditional Name: (2S)-3-keto-4-[2-(4-methoxyphenyl)-4-nitro-phenoxy]-2-(4-methylthiazol-2-yl)butyronitrile Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CSC(=N1)[C@@H](C#N)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H17N3O5S/c1-13-12-30-21(23-13)18(10-22)19(25)11-29-20-8-5-15(24(26)27)9-17(20)14-3-6-16(28-2)7-4-14/h3-9,12,18H,11H2,1-2H3/t18-/m0/s1