methyl (2R)-7-chloranyl-3-oxidanylidene-2-(3-oxidanylidenebutyl)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl (2R)-7-chloranyl-3-oxidanylidene-2-(3-oxidanylidenebutyl)-1-benzothiophene-2-carboxylate Openeye Name: methyl (2R)-7-chloro-3-oxo-2-(3-oxobutyl)benzothiophene-2-carboxylate CAS Name: (2R)-7-chloro-3-oxo-2-(3-oxobutyl)-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl (2R)-7-chloro-3-oxo-2-(3-oxobutyl)-1-benzothiophene-2-carboxylate Traditional Name: (2R)-7-chloro-3-keto-2-(3-ketobutyl)benzothiophene-2-carboxylic acid methyl ester Formula: C14H13ClO4S MolecularWeight: 312.76862

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1(C(=O)C2=C(S1)C(=CC=C2)Cl)C(=O)OC

Isomeric SMILES

CC(=O)CC[C@@]1(C(=O)C2=C(S1)C(=CC=C2)Cl)C(=O)OC

InChI

InChI=1S/C14H13ClO4S/c1-8(16)6-7-14(13(18)19-2)12(17)9-4-3-5-10(15)11(9)20-14/h3-5H,6-7H2,1-2H3/t14-/m1/s1