N'-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-N-phenethyl-ethanediamide

Systemtic Name: N'-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-N-phenethyl-ethanediamide Openeye Name: N'-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-N-phenethyl-oxamide CAS Name: N'-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-N-phenethyloxamide IUPAC Name: N'-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-N-phenethyloxamide Traditional Name: N'-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-N-phenethyl-oxamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)SC(=C2C#N)NC(=O)C(=O)NCCC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC2=C(CO1)SC(=C2C#N)NC(=O)C(=O)NCCC3=CC=CC=C3)C

InChI

InChI=1S/C20H21N3O3S/c1-20(2)10-14-15(11-21)19(27-16(14)12-26-20)23-18(25)17(24)22-9-8-13-6-4-3-5-7-13/h3-7H,8-10,12H2,1-2H3,(H,22,24)(H,23,25)