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

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: (7-acetamido-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-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2-thenoyl)pyrrolidine-2-carboxylic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCCN3C(=O)C4=CC=CS4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCCN3C(=O)C4=CC=CS4

InChI

InChI=1S/C22H20N2O6S/c1-13(25)23-15-6-7-16-14(10-20(26)30-18(16)11-15)12-29-22(28)17-4-2-8-24(17)21(27)19-5-3-9-31-19/h3,5-7,9-11,17H,2,4,8,12H2,1H3,(H,23,25)