(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C21H18FNO5S MolecularWeight: 415.434723

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C21H18FNO5S/c1-13(24)23-16-4-7-18-14(10-21(26)28-19(18)11-16)12-27-20(25)8-9-29-17-5-2-15(22)3-6-17/h2-7,10-11H,8-9,12H2,1H3,(H,23,24)