(E)-N-(5-tert-butyl-2-methoxy-phenyl)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enamide

Systemtic Name: (E)-N-(5-tert-butyl-2-methoxy-phenyl)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enamide Openeye Name: (E)-N-(5-tert-butyl-2-methoxy-phenyl)-3-(3-chlorobenzothiophen-2-yl)prop-2-enamide CAS Name: (E)-N-(5-tert-butyl-2-methoxyphenyl)-3-(3-chloro-1-benzothiophen-2-yl)-2-propenamide IUPAC Name: (E)-N-(5-tert-butyl-2-methoxyphenyl)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enamide Traditional Name: (E)-N-(5-tert-butyl-2-methoxy-phenyl)-3-(3-chlorobenzothiophen-2-yl)acrylamide Formula: C22H22ClNO2S MolecularWeight: 399.93358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C=CC2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)/C=C/C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C22H22ClNO2S/c1-22(2,3)14-9-10-17(26-4)16(13-14)24-20(25)12-11-19-21(23)15-7-5-6-8-18(15)27-19/h5-13H,1-4H3,(H,24,25)/b12-11+