methyl 2-[5-(3-methoxy-3-oxidanylidene-propyl)-4-oxidanyl-thiophen-2-yl]carbonylbenzoate

Systemtic Name: methyl 2-[5-(3-methoxy-3-oxidanylidene-propyl)-4-oxidanyl-thiophen-2-yl]carbonylbenzoate Openeye Name: methyl 2-[4-hydroxy-5-(3-methoxy-3-oxo-propyl)thiophene-2-carbonyl]benzoate CAS Name: 2-[[4-hydroxy-5-(3-methoxy-3-oxopropyl)-2-thiophenyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-hydroxy-5-(3-methoxy-3-oxopropyl)thiophene-2-carbonyl]benzoate Traditional Name: 2-[4-hydroxy-5-(3-keto-3-methoxy-propyl)thiophene-2-carbonyl]benzoic acid methyl ester Formula: C17H16O6S MolecularWeight: 348.37034

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(C=C(S1)C(=O)C2=CC=CC=C2C(=O)OC)O

Isomeric SMILES

COC(=O)CCC1=C(C=C(S1)C(=O)C2=CC=CC=C2C(=O)OC)O

InChI

InChI=1S/C17H16O6S/c1-22-15(19)8-7-13-12(18)9-14(24-13)16(20)10-5-3-4-6-11(10)17(21)23-2/h3-6,9,18H,7-8H2,1-2H3