ethyl 5-(1,3-dithiolan-2-ylidene)-2-(4-methoxyphenyl)-1-nitro-4-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: ethyl 5-(1,3-dithiolan-2-ylidene)-2-(4-methoxyphenyl)-1-nitro-4-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: ethyl 5-(1,3-dithiolan-2-ylidene)-2-(4-methoxyphenyl)-1-nitro-4-oxo-cyclohexanecarboxylate CAS Name: 5-(1,3-dithiolan-2-ylidene)-2-(4-methoxyphenyl)-1-nitro-4-oxo-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-dithiolan-2-ylidene)-2-(4-methoxyphenyl)-1-nitro-4-oxocyclohexane-1-carboxylate Traditional Name: 5-(1,3-dithiolan-2-ylidene)-4-keto-2-(4-methoxyphenyl)-1-nitro-cyclohexanecarboxylic acid ethyl ester Formula: C19H21NO6S2 MolecularWeight: 423.50314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(=C2SCCS2)C(=O)CC1C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1(CC(=C2SCCS2)C(=O)CC1C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H21NO6S2/c1-3-26-18(22)19(20(23)24)11-14(17-27-8-9-28-17)16(21)10-15(19)12-4-6-13(25-2)7-5-12/h4-7,15H,3,8-11H2,1-2H3