methyl 4-[4-[(2,4-dimethyl-5-oxidanyl-3-oxidanylidene-thiophen-2-yl)methyl]phenyl]benzoate

Systemtic Name: methyl 4-[4-[(2,4-dimethyl-5-oxidanyl-3-oxidanylidene-thiophen-2-yl)methyl]phenyl]benzoate Openeye Name: methyl 4-[4-[(5-hydroxy-2,4-dimethyl-3-oxo-2-thienyl)methyl]phenyl]benzoate CAS Name: 4-[4-[(5-hydroxy-2,4-dimethyl-3-oxo-2-thiophenyl)methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(5-hydroxy-2,4-dimethyl-3-oxothiophen-2-yl)methyl]phenyl]benzoate Traditional Name: 4-[4-[(5-hydroxy-3-keto-2,4-dimethyl-2-thienyl)methyl]phenyl]benzoic acid methyl ester Formula: C21H20O4S MolecularWeight: 368.4461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(C1=O)(C)CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC)O

Isomeric SMILES

CC1=C(SC(C1=O)(C)CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC)O

InChI

InChI=1S/C21H20O4S/c1-13-18(22)21(2,26-20(13)24)12-14-4-6-15(7-5-14)16-8-10-17(11-9-16)19(23)25-3/h4-11,24H,12H2,1-3H3