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

Systemtic Name: (2E)-2-[[[4-(4-tert-butylphenyl)thiophen-2-yl]amino]-oxidanyl-methylidene]-3-oxidanylidene-butanenitrile Openeye Name: (2E)-2-[[[4-(4-tert-butylphenyl)-2-thienyl]amino]-hydroxy-methylene]-3-oxo-butanenitrile CAS Name: (2E)-2-[[[4-(4-tert-butylphenyl)-2-thiophenyl]amino]-hydroxymethylidene]-3-oxobutanenitrile IUPAC Name: (2E)-2-[[[4-(4-tert-butylphenyl)thiophen-2-yl]amino]-hydroxymethylidene]-3-oxobutanenitrile Traditional Name: (E)-2-acetyl-3-[[4-(4-tert-butylphenyl)-2-thienyl]amino]-3-hydroxy-acrylonitrile Formula: C19H20N2O2S MolecularWeight: 340.4393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O2S/c1-12(22)16(10-20)18(23)21-17-9-14(11-24-17)13-5-7-15(8-6-13)19(2,3)4/h5-9,11,21,23H,1-4H3/b18-16+