ethyl 4-oxidanyl-5-phenyl-2-(phenylmethylsulfanyl)thiophene-3-carboxylate

Systemtic Name: ethyl 4-oxidanyl-5-phenyl-2-(phenylmethylsulfanyl)thiophene-3-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-4-hydroxy-5-phenyl-thiophene-3-carboxylate CAS Name: 4-hydroxy-5-phenyl-2-(phenylmethylthio)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-4-hydroxy-5-phenylthiophene-3-carboxylate Traditional Name: 2-(benzylthio)-4-hydroxy-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H18O3S2 MolecularWeight: 370.48512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1O)C2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1O)C2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C20H18O3S2/c1-2-23-19(22)16-17(21)18(15-11-7-4-8-12-15)25-20(16)24-13-14-9-5-3-6-10-14/h3-12,21H,2,13H2,1H3