(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-thiophen-3-ylpropanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-thiophen-3-ylpropanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CCC1=CSC=C1

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CCC1=CSC=C1

InChI

InChI=1S/C13H14N2O3S/c1-9(15)11(6-14)12(16)7-18-13(17)3-2-10-4-5-19-8-10/h4-5,8,11,15H,2-3,7H2,1H3