diethyl 2-[(S)-[4-methyl-3-nitro-1,1-bis(oxidanylidene)-2H-thiophen-5-id-5-yl]-phenyl-methyl]propanedioate

Systemtic Name: diethyl 2-[(S)-[4-methyl-3-nitro-1,1-bis(oxidanylidene)-2H-thiophen-5-id-5-yl]-phenyl-methyl]propanedioate Openeye Name: diethyl 2-[(S)-(4-methyl-3-nitro-1,1-dioxo-2H-thiophen-5-id-5-yl)-phenyl-methyl]propanedioate CAS Name: 2-[(S)-(4-methyl-3-nitro-1,1-dioxo-2H-thiophen-5-id-5-yl)-phenylmethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(S)-(4-methyl-3-nitro-1,1-dioxo-2H-thiophen-5-id-5-yl)-phenylmethyl]propanedioate Traditional Name: 2-[(S)-(1,1-diketo-4-methyl-3-nitro-2H-thiophen-5-id-5-yl)-phenyl-methyl]malonic acid diethyl ester Formula: C19H22NO8S- MolecularWeight: 424.44488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C([C-]1C(=C(CS1(=O)=O)[N+](=O)[O-])C)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C([C@H]([C-]1C(=C(CS1(=O)=O)[N+](=O)[O-])C)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C19H22NO8S/c1-4-27-18(21)16(19(22)28-5-2)15(13-9-7-6-8-10-13)17-12(3)14(20(23)24)11-29(17,25)26/h6-10,15-16H,4-5,11H2,1-3H3/q-1/t15-/m1/s1