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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide Openeye Name: 3-(4-benzyloxyphenyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)prop-2-enamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-phenylmethoxyphenyl)-2-propenamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide Traditional Name: 3-(4-benzoxyphenyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acrylamide Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C=CC3=CC=C(C=C3)OCC4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C=CC3=CC=C(C=C3)OCC4=CC=CC=C4)C#N

InChI

InChI=1S/C25H22N2O2S/c26-16-22-21-8-4-5-9-23(21)30-25(22)27-24(28)15-12-18-10-13-20(14-11-18)29-17-19-6-2-1-3-7-19/h1-3,6-7,10-15H,4-5,8-9,17H2,(H,27,28)