(E)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide Openeye Name: (E)-3-(4-benzyloxyphenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)prop-2-enamide CAS Name: (E)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-phenylmethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(4-benzoxyphenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acrylamide Formula: C26H24N2O2S MolecularWeight: 428.54596

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C=CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)/C=C/C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O2S/c1-18-7-13-22-23(16-27)26(31-24(22)15-18)28-25(29)14-10-19-8-11-21(12-9-19)30-17-20-5-3-2-4-6-20/h2-6,8-12,14,18H,7,13,15,17H2,1H3,(H,28,29)/b14-10+