N-[3-[1-cyano-2-(furan-2-ylmethylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]thiophene-2-carboxamide

Systemtic Name: N-[3-[1-cyano-2-(furan-2-ylmethylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]thiophene-2-carboxamide Openeye Name: N-[3-[1-cyano-2-(2-furylmethylamino)-2-oxo-ethylidene]isoindol-1-yl]thiophene-2-carboxamide CAS Name: N-[3-[1-cyano-2-(2-furanylmethylamino)-2-oxoethylidene]-1-isoindolyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]isoindol-1-yl]thiophene-2-carboxamide Traditional Name: N-[3-[1-cyano-2-(2-furfurylamino)-2-keto-ethylidene]isoindol-1-yl]thiophene-2-carboxamide Formula: C21H14N4O3S MolecularWeight: 402.42586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C#N)C(=O)NCC3=CC=CO3)N=C2NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C#N)C(=O)NCC3=CC=CO3)N=C2NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H14N4O3S/c22-11-16(20(26)23-12-13-5-3-9-28-13)18-14-6-1-2-7-15(14)19(24-18)25-21(27)17-8-4-10-29-17/h1-10H,12H2,(H,23,26)(H,24,25,27)