dimethyl 2-[(R)-(4-nitrophenyl)-[(3S)-4-oxidanylidenethian-3-yl]methyl]propanedioate

Systemtic Name: dimethyl 2-[(R)-(4-nitrophenyl)-[(3S)-4-oxidanylidenethian-3-yl]methyl]propanedioate Openeye Name: dimethyl 2-[(R)-(4-nitrophenyl)-[(3S)-4-oxotetrahydrothiopyran-3-yl]methyl]propanedioate CAS Name: 2-[(R)-(4-nitrophenyl)-[(3S)-4-oxo-3-thianyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(R)-(4-nitrophenyl)-[(3S)-4-oxothian-3-yl]methyl]propanedioate Traditional Name: 2-[(R)-[(3S)-4-ketotetrahydrothiopyran-3-yl]-(4-nitrophenyl)methyl]malonic acid dimethyl ester Formula: C17H19NO7S MolecularWeight: 381.40026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1CSCCC1=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C([C@H]([C@@H]1CSCCC1=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H19NO7S/c1-24-16(20)15(17(21)25-2)14(12-9-26-8-7-13(12)19)10-3-5-11(6-4-10)18(22)23/h3-6,12,14-15H,7-9H2,1-2H3/t12-,14+/m1/s1