methyl 2-[5-(azepan-1-yl)-4-cyano-3-oxidanylidene-thiophen-2-ylidene]ethanoate

Systemtic Name: methyl 2-[5-(azepan-1-yl)-4-cyano-3-oxidanylidene-thiophen-2-ylidene]ethanoate Openeye Name: methyl 2-[5-(azepan-1-yl)-4-cyano-3-oxo-2-thienylidene]acetate CAS Name: 2-[5-(1-azepanyl)-4-cyano-3-oxo-2-thiophenylidene]acetic acid methyl ester IUPAC Name: methyl 2-[5-(azepan-1-yl)-4-cyano-3-oxothiophen-2-ylidene]acetate Traditional Name: 2-[5-(azepan-1-yl)-4-cyano-3-keto-2-thienylidene]acetic acid methyl ester Formula: C14H16N2O3S MolecularWeight: 292.35344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C1C(=O)C(=C(S1)N2CCCCCC2)C#N

Isomeric SMILES

COC(=O)C=C1C(=O)C(=C(S1)N2CCCCCC2)C#N

InChI

InChI=1S/C14H16N2O3S/c1-19-12(17)8-11-13(18)10(9-15)14(20-11)16-6-4-2-3-5-7-16/h8H,2-7H2,1H3