[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-ethyl-5-propyl-thiophene-2-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-ethyl-5-propyl-thiophene-2-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 4-ethyl-5-propyl-thiophene-2-carboxylate CAS Name: 4-ethyl-5-propyl-2-thiophenecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 4-ethyl-5-propylthiophene-2-carboxylate Traditional Name: 4-ethyl-5-propyl-thiophene-2-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(S1)C(=O)OCC(=O)C(C#N)C(=N)C)CC

Isomeric SMILES

CCCC1=C(C=C(S1)C(=O)OCC(=O)[C@H](C#N)C(=N)C)CC

InChI

InChI=1S/C16H20N2O3S/c1-4-6-14-11(5-2)7-15(22-14)16(20)21-9-13(19)12(8-17)10(3)18/h7,12,18H,4-6,9H2,1-3H3/t12-/m1/s1