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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-phenylsulfanylpropanoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H20O4S MolecularWeight: 368.4461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C21H20O4S/c1-2-15-8-9-18-16(13-21(23)25-19(18)12-15)14-24-20(22)10-11-26-17-6-4-3-5-7-17/h3-9,12-13H,2,10-11,14H2,1H3