3-(3-methoxy-4-propoxy-phenyl)-2-sulfanylidene-propanoic acid

Systemtic Name: 3-(3-methoxy-4-propoxy-phenyl)-2-sulfanylidene-propanoic acid Openeye Name: 3-(3-methoxy-4-propoxy-phenyl)-2-thioxo-propanoic acid CAS Name: 3-(3-methoxy-4-propoxyphenyl)-2-sulfanylidenepropanoic acid IUPAC Name: 3-(3-methoxy-4-propoxyphenyl)-2-sulfanylidenepropanoic acid Traditional Name: 3-(3-methoxy-4-propoxy-phenyl)-2-thioxo-propionic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CC(=S)C(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CC(=S)C(=O)O)OC

InChI

InChI=1S/C13H16O4S/c1-3-6-17-10-5-4-9(7-11(10)16-2)8-12(18)13(14)15/h4-5,7H,3,6,8H2,1-2H3,(H,14,15)