dimethyl 2-[(S)-[(1S)-2-oxidanylidenecyclohexyl]-thiophen-2-yl-methyl]propanedioate

Systemtic Name: dimethyl 2-[(S)-[(1S)-2-oxidanylidenecyclohexyl]-thiophen-2-yl-methyl]propanedioate Openeye Name: dimethyl 2-[(S)-[(1S)-2-oxocyclohexyl]-(2-thienyl)methyl]propanedioate CAS Name: 2-[(S)-[(1S)-2-oxocyclohexyl]-thiophen-2-ylmethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(S)-[(1S)-2-oxocyclohexyl]-thiophen-2-ylmethyl]propanedioate Traditional Name: 2-[(S)-[(1S)-2-ketocyclohexyl]-(2-thienyl)methyl]malonic acid dimethyl ester Formula: C16H20O5S MolecularWeight: 324.392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1CCCCC1=O)C2=CC=CS2)C(=O)OC

Isomeric SMILES

COC(=O)C([C@H]([C@@H]1CCCCC1=O)C2=CC=CS2)C(=O)OC

InChI

InChI=1S/C16H20O5S/c1-20-15(18)14(16(19)21-2)13(12-8-5-9-22-12)10-6-3-4-7-11(10)17/h5,8-10,13-14H,3-4,6-7H2,1-2H3/t10-,13-/m1/s1