[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4H-thieno[3,2-c]chromene-2-carboxylate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4H-thieno[3,2-c]chromene-2-carboxylate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate CAS Name: 4H-thieno[3,2-c][1]benzopyran-2-carboxylic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 4H-thieno[3,2-c]chromene-2-carboxylate Traditional Name: 4H-thieno[3,2-c]chromene-2-carboxylic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H16N2O4S MolecularWeight: 404.43844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3

InChI

InChI=1S/C22H16N2O4S/c1-13(21(25)24-16-6-4-5-14(9-16)11-23)28-22(26)19-10-15-12-27-18-8-3-2-7-17(18)20(15)29-19/h2-10,13H,12H2,1H3,(H,24,25)