[2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylethanoate

Systemtic Name: [2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylethanoate Openeye Name: [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-oxo-ethyl] 2-(2-thienyl)acetate CAS Name: 2-thiophen-2-ylacetic acid [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 2-thiophen-2-ylacetate Traditional Name: 2-(2-thienyl)acetic acid [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CC2=CC=CS2

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CC2=CC=CS2

InChI

InChI=1S/C18H18N2O3S/c1-14-5-7-15(8-6-14)20(10-3-9-19)17(21)13-23-18(22)12-16-4-2-11-24-16/h2,4-8,11H,3,10,12-13H2,1H3