ethyl 4-cyano-5-[3-cyano-4-(5-nitrofuran-2-yl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[3-cyano-4-(5-nitrofuran-2-yl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-cyano-4-(5-nitro-2-furyl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[3-cyano-4-(5-nitro-2-furanyl)-2-oxobut-3-enyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-cyano-4-(5-nitrofuran-2-yl)-2-oxobut-3-enyl]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-cyano-2-keto-4-(5-nitro-2-furyl)but-3-enyl]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H13N3O6S MolecularWeight: 399.37732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC=C(O2)[N+](=O)[O-])C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC=C(O2)[N+](=O)[O-])C#N)C#N)C

InChI

InChI=1S/C18H13N3O6S/c1-3-26-18(23)17-10(2)13(9-20)15(28-17)7-14(22)11(8-19)6-12-4-5-16(27-12)21(24)25/h4-6H,3,7H2,1-2H3