(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-(5-chloranylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-(5-chloranylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 1-[(5-chloro-2-thienyl)sulfonyl]pyrrolidine-2-carboxylate CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-2-pyrrolidinecarboxylic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]pyrrolidine-2-carboxylic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C21H20ClNO6S2 MolecularWeight: 481.9696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3CCCN3S(=O)(=O)C4=CC=C(S4)Cl)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3CCCN3S(=O)(=O)C4=CC=C(S4)Cl)C

InChI

InChI=1S/C21H20ClNO6S2/c1-12-8-15-14(10-19(24)29-17(15)9-13(12)2)11-28-21(25)16-4-3-7-23(16)31(26,27)20-6-5-18(22)30-20/h5-6,8-10,16H,3-4,7,11H2,1-2H3