ethyl 4-azanyl-2-[1H-benzimidazol-2-yl(cyano)methylidene]-3-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[1H-benzimidazol-2-yl(cyano)methylidene]-3-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-amino-2-[1H-benzimidazol-2-yl(cyano)methylene]-3-phenyl-thiazole-5-carboxylate CAS Name: 4-amino-2-[1H-benzimidazol-2-yl(cyano)methylidene]-3-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[1H-benzimidazol-2-yl(cyano)methylidene]-3-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 4-amino-2-[1H-benzimidazol-2-yl(cyano)methylene]-3-phenyl-4-thiazoline-5-carboxylic acid ethyl ester Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C(C#N)C2=NC3=CC=CC=C3N2)S1)C4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C(C#N)C2=NC3=CC=CC=C3N2)S1)C4=CC=CC=C4)N

InChI

InChI=1S/C21H17N5O2S/c1-2-28-21(27)17-18(23)26(13-8-4-3-5-9-13)20(29-17)14(12-22)19-24-15-10-6-7-11-16(15)25-19/h3-11H,2,23H2,1H3,(H,24,25)