methyl 4-[3-(2,4-dimethyl-5-oxidanyl-3-oxidanylidene-thiophen-2-yl)prop-1-ynyl]benzoate

Systemtic Name: methyl 4-[3-(2,4-dimethyl-5-oxidanyl-3-oxidanylidene-thiophen-2-yl)prop-1-ynyl]benzoate Openeye Name: methyl 4-[3-(5-hydroxy-2,4-dimethyl-3-oxo-2-thienyl)prop-1-ynyl]benzoate CAS Name: 4-[3-(5-hydroxy-2,4-dimethyl-3-oxo-2-thiophenyl)prop-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(5-hydroxy-2,4-dimethyl-3-oxothiophen-2-yl)prop-1-ynyl]benzoate Traditional Name: 4-[3-(5-hydroxy-3-keto-2,4-dimethyl-2-thienyl)prop-1-ynyl]benzoic acid methyl ester Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16O4S/c1-11-14(18)17(2,22-16(11)20)10-4-5-12-6-8-13(9-7-12)15(19)21-3/h6-9,20H,10H2,1-3H3