(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2-thenoyl)pyrrolidine-2-carboxylic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H21NO5S MolecularWeight: 411.47084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCCN3C(=O)C4=CC=CS4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCCN3C(=O)C4=CC=CS4

InChI

InChI=1S/C22H21NO5S/c1-2-14-7-8-16-15(12-20(24)28-18(16)11-14)13-27-22(26)17-5-3-9-23(17)21(25)19-6-4-10-29-19/h4,6-8,10-12,17H,2-3,5,9,13H2,1H3