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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: (6-chloro-7-methyl-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-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2-thenoyl)pyrrolidine-2-carboxylic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H18ClNO5S MolecularWeight: 431.88932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCCN3C(=O)C4=CC=CS4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCCN3C(=O)C4=CC=CS4)Cl

InChI

InChI=1S/C21H18ClNO5S/c1-12-8-17-14(10-15(12)22)13(9-19(24)28-17)11-27-21(26)16-4-2-6-23(16)20(25)18-5-3-7-29-18/h3,5,7-10,16H,2,4,6,11H2,1H3