2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]prop-2-enamide

Systemtic Name: 2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]prop-2-enamide Openeye Name: N-(5-benzylthiazol-2-yl)-2-cyano-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enamide CAS Name: 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-[5-(phenylmethyl)-2-thiazolyl]-2-propenamide IUPAC Name: N-(5-benzyl-1,3-thiazol-2-yl)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide Traditional Name: N-(5-benzylthiazol-2-yl)-2-cyano-3-(4-hydroxy-3-methoxy-phenyl)acrylamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=CC=C3)O

InChI

InChI=1S/C21H17N3O3S/c1-27-19-11-15(7-8-18(19)25)9-16(12-22)20(26)24-21-23-13-17(28-21)10-14-5-3-2-4-6-14/h2-9,11,13,25H,10H2,1H3,(H,23,24,26)