2-[[2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[3-(4-benzyloxyphenyl)-2-cyano-prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-cyano-1-oxo-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[3-(4-benzoxyphenyl)-2-cyano-acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H23N3O3S MolecularWeight: 457.54412

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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)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C26H23N3O3S/c27-15-19(14-17-10-12-20(13-11-17)32-16-18-6-2-1-3-7-18)25(31)29-26-23(24(28)30)21-8-4-5-9-22(21)33-26/h1-3,6-7,10-14H,4-5,8-9,16H2,(H2,28,30)(H,29,31)