methyl 3-(2-phenyl-5-propyl-4-sulfanylidene-1,3-oxathiolan-2-yl)propanoate

Systemtic Name: methyl 3-(2-phenyl-5-propyl-4-sulfanylidene-1,3-oxathiolan-2-yl)propanoate Openeye Name: methyl 3-(2-phenyl-5-propyl-4-thioxo-1,3-oxathiolan-2-yl)propanoate CAS Name: 3-(2-phenyl-5-propyl-4-sulfanylidene-1,3-oxathiolan-2-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(2-phenyl-5-propyl-4-sulfanylidene-1,3-oxathiolan-2-yl)propanoate Traditional Name: 3-(2-phenyl-5-propyl-4-thioxo-1,3-oxathiolan-2-yl)propionic acid methyl ester Formula: C16H20O3S2 MolecularWeight: 324.4582

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=S)SC(O1)(CCC(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CCCC1C(=S)SC(O1)(CCC(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C16H20O3S2/c1-3-7-13-15(20)21-16(19-13,11-10-14(17)18-2)12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10-11H2,1-2H3