[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate CAS Name: 4H-thieno[3,2-c][1]benzopyran-2-carboxylic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate Traditional Name: 4H-thieno[3,2-c]chromene-2-carboxylic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C22H16N2O4S MolecularWeight: 404.43844

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C3=CC=CC=C3O1)SC(=C2)C(=O)OCC(=O)N(CC#N)C4=CC=CC=C4

Isomeric SMILES

C1C2=C(C3=CC=CC=C3O1)SC(=C2)C(=O)OCC(=O)N(CC#N)C4=CC=CC=C4

InChI

InChI=1S/C22H16N2O4S/c23-10-11-24(16-6-2-1-3-7-16)20(25)14-28-22(26)19-12-15-13-27-18-9-5-4-8-17(18)21(15)29-19/h1-9,12H,11,13-14H2