(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(phenylsulfonyl)propanoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(phenylsulfonyl)propanoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H20O6S MolecularWeight: 400.4449

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20O6S/c1-2-15-8-9-18-16(13-21(23)27-19(18)12-15)14-26-20(22)10-11-28(24,25)17-6-4-3-5-7-17/h3-9,12-13H,2,10-11,14H2,1H3