methyl 5-(6-cyano-7-ethoxy-7-oxidanylidene-heptan-2-yl)thiophene-2-carboxylate

Systemtic Name: methyl 5-(6-cyano-7-ethoxy-7-oxidanylidene-heptan-2-yl)thiophene-2-carboxylate Openeye Name: methyl 5-(5-cyano-6-ethoxy-1-methyl-6-oxo-hexyl)thiophene-2-carboxylate CAS Name: 5-(6-cyano-7-ethoxy-7-oxoheptan-2-yl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(6-cyano-7-ethoxy-7-oxoheptan-2-yl)thiophene-2-carboxylate Traditional Name: 5-(5-cyano-6-ethoxy-6-keto-1-methyl-hexyl)thiophene-2-carboxylic acid methyl ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC(C)C1=CC=C(S1)C(=O)OC)C#N

Isomeric SMILES

CCOC(=O)C(CCCC(C)C1=CC=C(S1)C(=O)OC)C#N

InChI

InChI=1S/C16H21NO4S/c1-4-21-15(18)12(10-17)7-5-6-11(2)13-8-9-14(22-13)16(19)20-3/h8-9,11-12H,4-7H2,1-3H3