(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-methylsulfonylpyrrolidine-2-carboxylate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-methylsulfonylpyrrolidine-2-carboxylate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 1-methylsulfonylpyrrolidine-2-carboxylate CAS Name: 1-methylsulfonyl-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-methylsulfonylpyrrolidine-2-carboxylate Traditional Name: 1-mesylpyrrolidine-2-carboxylic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO6S/c1-11-7-14-13(9-17(20)25-16(14)8-12(11)2)10-24-18(21)15-5-4-6-19(15)26(3,22)23/h7-9,15H,4-6,10H2,1-3H3