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

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: (6-chloro-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 (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2-thenoyl)pyrrolidine-2-carboxylic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H20ClNO5S MolecularWeight: 445.9159

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCCN3C(=O)C4=CC=CS4)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCCN3C(=O)C4=CC=CS4)Cl

InChI

InChI=1S/C22H20ClNO5S/c1-2-13-9-18-15(11-16(13)23)14(10-20(25)29-18)12-28-22(27)17-5-3-7-24(17)21(26)19-6-4-8-30-19/h4,6,8-11,17H,2-3,5,7,12H2,1H3