(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acrylamide Formula: C21H22N4OS MolecularWeight: 378.49058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC2=CC3=C(C=C2)N=C(S3)C)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2)N=C(S3)C)C

InChI

InChI=1S/C21H22N4OS/c1-5-8-25-13(2)9-16(14(25)3)10-17(12-22)21(26)24-18-6-7-19-20(11-18)27-15(4)23-19/h6-7,9-11H,5,8H2,1-4H3,(H,24,26)/b17-10+