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

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(phenylsulfonyl)propanoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H19ClO6S MolecularWeight: 434.88996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCS(=O)(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCS(=O)(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H19ClO6S/c1-2-14-10-19-17(12-18(14)22)15(11-21(24)28-19)13-27-20(23)8-9-29(25,26)16-6-4-3-5-7-16/h3-7,10-12H,2,8-9,13H2,1H3