ethyl 4-oxidanylidene-4-(4-phenoxyphenyl)-2-sulfanyl-butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-(4-phenoxyphenyl)-2-sulfanyl-butanoate Openeye Name: ethyl 4-oxo-4-(4-phenoxyphenyl)-2-sulfanyl-butanoate CAS Name: 2-mercapto-4-oxo-4-(4-phenoxyphenyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-(4-phenoxyphenyl)-2-sulfanylbutanoate Traditional Name: 4-keto-2-mercapto-4-(4-phenoxyphenyl)butyric acid ethyl ester Formula: C18H18O4S MolecularWeight: 330.39812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)S

Isomeric SMILES

CCOC(=O)C(CC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)S

InChI

InChI=1S/C18H18O4S/c1-2-21-18(20)17(23)12-16(19)13-8-10-15(11-9-13)22-14-6-4-3-5-7-14/h3-11,17,23H,2,12H2,1H3