(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolidinylsulfonyl)-2-thiophenecarboxylic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate Traditional Name: 3-pyrrolidinosulfonylthiophene-2-carboxylic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C21H21NO6S2 MolecularWeight: 447.52454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=C(C=CS3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=C(C=CS3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C21H21NO6S2/c1-13-9-16-15(11-19(23)28-17(16)10-14(13)2)12-27-21(24)20-18(5-8-29-20)30(25,26)22-6-3-4-7-22/h5,8-11H,3-4,6-7,12H2,1-2H3