dimethyl 2-[(1S)-1-(3-chlorophenyl)-3-oxidanylidene-3-thiophen-2-yl-propyl]propanedioate

Systemtic Name: dimethyl 2-[(1S)-1-(3-chlorophenyl)-3-oxidanylidene-3-thiophen-2-yl-propyl]propanedioate Openeye Name: dimethyl 2-[(1S)-1-(3-chlorophenyl)-3-oxo-3-(2-thienyl)propyl]propanedioate CAS Name: 2-[(1S)-1-(3-chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1S)-1-(3-chlorophenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedioate Traditional Name: 2-[(1S)-1-(3-chlorophenyl)-3-keto-3-(2-thienyl)propyl]malonic acid dimethyl ester Formula: C18H17ClO5S MolecularWeight: 380.84258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(CC(=O)C1=CC=CS1)C2=CC(=CC=C2)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C([C@H](CC(=O)C1=CC=CS1)C2=CC(=CC=C2)Cl)C(=O)OC

InChI

InChI=1S/C18H17ClO5S/c1-23-17(21)16(18(22)24-2)13(11-5-3-6-12(19)9-11)10-14(20)15-7-4-8-25-15/h3-9,13,16H,10H2,1-2H3/t13-/m1/s1