2-cyano-3-(4-ethoxy-3-methoxy-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: 2-cyano-3-(4-ethoxy-3-methoxy-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: 2-cyano-3-(4-ethoxy-3-methoxy-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: 2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: 2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: 2-cyano-3-(4-ethoxy-3-methoxy-phenyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)acrylamide Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)OC

InChI

InChI=1S/C21H19N3O5S2/c1-4-29-17-8-5-13(10-18(17)28-2)9-14(12-22)20(25)24-21-23-16-7-6-15(31(3,26)27)11-19(16)30-21/h5-11H,4H2,1-3H3,(H,23,24,25)