[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-(4-cyanophenyl)propanoate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-(4-cyanophenyl)propanoate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 3-(4-cyanophenyl)propanoate CAS Name: 3-(4-cyanophenyl)propanoic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-(4-cyanophenyl)propanoate Traditional Name: 3-(4-cyanophenyl)propionic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)CCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)OC(=O)CCC2=CC=C(C=C2)C#N

InChI

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