(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-fluorophenyl)sulfonylamino]propanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-fluorophenyl)sulfonylamino]propanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 3-[(4-fluorophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-fluorophenyl)sulfonylamino]propanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 3-[(4-fluorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-fluorophenyl)sulfonylamino]propionic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C21H20FNO6S MolecularWeight: 433.450003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H20FNO6S/c1-13-9-18-15(11-21(25)29-19(18)10-14(13)2)12-28-20(24)7-8-23-30(26,27)17-5-3-16(22)4-6-17/h3-6,9-11,23H,7-8,12H2,1-2H3