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

Systemtic Name: 2-[[2-cyano-3-(2-phenylmethoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[3-(2-benzyloxyphenyl)-2-cyano-prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-cyano-1-oxo-3-(2-phenylmethoxyphenyl)prop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-cyano-3-(2-phenylmethoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[3-(2-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=CC=C3OCC4=CC=CC=C4)C#N)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C(=CC3=CC=CC=C3OCC4=CC=CC=C4)C#N)C(=O)N

InChI

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