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

Systemtic Name: ethyl 5-(3-methylsulfanyl-2-oxidanyl-propoxy)-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 5-(2-hydroxy-3-methylsulfanyl-propoxy)-4-oxo-chromene-2-carboxylate CAS Name: 5-[2-hydroxy-3-(methylthio)propoxy]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-hydroxy-3-methylsulfanylpropoxy)-4-oxochromene-2-carboxylate Traditional Name: 5-[2-hydroxy-3-(methylthio)propoxy]-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C16H18O6S MolecularWeight: 338.37552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2OCC(CSC)O

Isomeric SMILES

CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2OCC(CSC)O

InChI

InChI=1S/C16H18O6S/c1-3-20-16(19)14-7-11(18)15-12(5-4-6-13(15)22-14)21-8-10(17)9-23-2/h4-7,10,17H,3,8-9H2,1-2H3