3-cyano-3-[4-(cyanomethyl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxidanylidene-propanamide

Systemtic Name: 3-cyano-3-[4-(cyanomethyl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxidanylidene-propanamide Openeye Name: 3-cyano-3-[4-(cyanomethyl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxo-propanamide CAS Name: 3-cyano-3-[4-(cyanomethyl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxopropanamide IUPAC Name: 3-cyano-3-[4-(cyanomethyl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxopropanamide Traditional Name: 3-cyano-3-[4-(cyanomethyl)phenyl]-2-keto-N-(6-methoxy-1,3-benzothiazol-2-yl)propionamide Formula: C20H14N4O3S MolecularWeight: 390.41516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C#N)C3=CC=C(C=C3)CC#N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C#N)C3=CC=C(C=C3)CC#N

InChI

InChI=1S/C20H14N4O3S/c1-27-14-6-7-16-17(10-14)28-20(23-16)24-19(26)18(25)15(11-22)13-4-2-12(3-5-13)8-9-21/h2-7,10,15H,8H2,1H3,(H,23,24,26)