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

Systemtic Name: N-[2-tert-butyl-4-(thiophen-2-ylmethyl)-1,2-thiazol-5-ylidene]-5-chloranyl-2-methoxy-benzamide Openeye Name: N-[2-tert-butyl-4-(2-thienylmethyl)isothiazol-5-ylidene]-5-chloro-2-methoxy-benzamide CAS Name: N-[2-tert-butyl-4-(thiophen-2-ylmethyl)-5-isothiazolylidene]-5-chloro-2-methoxybenzamide IUPAC Name: N-[2-tert-butyl-4-(thiophen-2-ylmethyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide Traditional Name: N-[2-tert-butyl-4-(2-thenyl)-3-isothiazolin-5-ylidene]-5-chloro-2-methoxy-benzamide Formula: C20H21ClN2O2S2 MolecularWeight: 420.97594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O2S2/c1-20(2,3)23-12-13(10-15-6-5-9-26-15)19(27-23)22-18(24)16-11-14(21)7-8-17(16)25-4/h5-9,11-12H,10H2,1-4H3