diethyl (3S,4R,5R)-2-azanyl-3-cyano-4,5-dithiophen-2-yl-cyclopentene-1,3-dicarboxylate

Systemtic Name: diethyl (3S,4R,5R)-2-azanyl-3-cyano-4,5-dithiophen-2-yl-cyclopentene-1,3-dicarboxylate Openeye Name: diethyl (3S,4R,5R)-2-amino-3-cyano-4,5-bis(2-thienyl)cyclopentene-1,3-dicarboxylate CAS Name: (3S,4R,5R)-2-amino-3-cyano-4,5-dithiophen-2-ylcyclopentene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (3S,4R,5R)-2-amino-3-cyano-4,5-dithiophen-2-ylcyclopentene-1,3-dicarboxylate Traditional Name: (3S,4R,5R)-2-amino-3-cyano-4,5-bis(2-thienyl)cyclopentene-1,3-dicarboxylic acid diethyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(C(C1C2=CC=CS2)C3=CC=CS3)(C#N)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C([C@@]([C@@H]([C@H]1C2=CC=CS2)C3=CC=CS3)(C#N)C(=O)OCC)N

InChI

InChI=1S/C20H20N2O4S2/c1-3-25-18(23)15-14(12-7-5-9-27-12)16(13-8-6-10-28-13)20(11-21,17(15)22)19(24)26-4-2/h5-10,14,16H,3-4,22H2,1-2H3/t14-,16+,20-/m0/s1