[2-oxidanylidene-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl] 4-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl] 4-cyanobenzoate Openeye Name: [2-[allyl(2-thienylmethyl)amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[allyl(2-thenyl)amino]-2-keto-ethyl] ester Formula: C18H16N2O3S MolecularWeight: 340.39624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=CS1)C(=O)COC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C=CCN(CC1=CC=CS1)C(=O)COC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H16N2O3S/c1-2-9-20(12-16-4-3-10-24-16)17(21)13-23-18(22)15-7-5-14(11-19)6-8-15/h2-8,10H,1,9,12-13H2