N-[2-tert-butyl-4-(thiophen-2-ylmethyl)-1,2-thiazol-5-ylidene]-5-cyano-2-methoxy-benzamide

Systemtic Name: N-[2-tert-butyl-4-(thiophen-2-ylmethyl)-1,2-thiazol-5-ylidene]-5-cyano-2-methoxy-benzamide Openeye Name: N-[2-tert-butyl-4-(2-thienylmethyl)isothiazol-5-ylidene]-5-cyano-2-methoxy-benzamide CAS Name: N-[2-tert-butyl-4-(thiophen-2-ylmethyl)-5-isothiazolylidene]-5-cyano-2-methoxybenzamide IUPAC Name: N-[2-tert-butyl-4-(thiophen-2-ylmethyl)-1,2-thiazol-5-ylidene]-5-cyano-2-methoxybenzamide Traditional Name: N-[2-tert-butyl-4-(2-thenyl)-3-isothiazolin-5-ylidene]-5-cyano-2-methoxy-benzamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=NC(=O)C2=C(C=CC(=C2)C#N)OC)S1)CC3=CC=CS3

Isomeric SMILES

CC(C)(C)N1C=C(C(=NC(=O)C2=C(C=CC(=C2)C#N)OC)S1)CC3=CC=CS3

InChI

InChI=1S/C21H21N3O2S2/c1-21(2,3)24-13-15(11-16-6-5-9-27-16)20(28-24)23-19(25)17-10-14(12-22)7-8-18(17)26-4/h5-10,13H,11H2,1-4H3