(2E)-2-[[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]amino]-oxidanyl-methylidene]-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-2-[[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]amino]-oxidanyl-methylidene]-3-oxidanylidene-butanenitrile Openeye Name: (2E)-2-[[[4-(4-tert-butylphenyl)thiazol-2-yl]amino]-hydroxy-methylene]-3-oxo-butanenitrile CAS Name: (2E)-2-[[[4-(4-tert-butylphenyl)-2-thiazolyl]amino]-hydroxymethylidene]-3-oxobutanenitrile IUPAC Name: (2E)-2-[[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]amino]-hydroxymethylidene]-3-oxobutanenitrile Traditional Name: (E)-2-acetyl-3-[[4-(4-tert-butylphenyl)thiazol-2-yl]amino]-3-hydroxy-acrylonitrile Formula: C18H19N3O2S MolecularWeight: 341.42736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(NC1=NC(=CS1)C2=CC=C(C=C2)C(C)(C)C)O)C#N

Isomeric SMILES

CC(=O)/C(=C(\NC1=NC(=CS1)C2=CC=C(C=C2)C(C)(C)C)/O)/C#N

InChI

InChI=1S/C18H19N3O2S/c1-11(22)14(9-19)16(23)21-17-20-15(10-24-17)12-5-7-13(8-6-12)18(2,3)4/h5-8,10,23H,1-4H3,(H,20,21)/b16-14+