ethyl 5-(3-butylsulfanyl-2-oxidanyl-propoxy)-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 5-(3-butylsulfanyl-2-oxidanyl-propoxy)-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 5-(3-butylsulfanyl-2-hydroxy-propoxy)-4-oxo-chromene-2-carboxylate CAS Name: 5-[3-(butylthio)-2-hydroxypropoxy]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-butylsulfanyl-2-hydroxypropoxy)-4-oxochromene-2-carboxylate Traditional Name: 5-[3-(butylthio)-2-hydroxy-propoxy]-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C19H24O6S MolecularWeight: 380.45526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(COC1=CC=CC2=C1C(=O)C=C(O2)C(=O)OCC)O

Isomeric SMILES

CCCCSCC(COC1=CC=CC2=C1C(=O)C=C(O2)C(=O)OCC)O

InChI

InChI=1S/C19H24O6S/c1-3-5-9-26-12-13(20)11-24-15-7-6-8-16-18(15)14(21)10-17(25-16)19(22)23-4-2/h6-8,10,13,20H,3-5,9,11-12H2,1-2H3