[1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidenepiperidin-1-yl)benzoate

Systemtic Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidenepiperidin-1-yl)benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 4-(2-oxo-1-piperidyl)benzoate CAS Name: 4-(2-oxo-1-piperidinyl)benzoic acid [1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 4-(2-oxopiperidin-1-yl)benzoate Traditional Name: 4-(2-ketopiperidino)benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)C2=CC=C(C=C2)N3CCCCC3=O

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)C2=CC=C(C=C2)N3CCCCC3=O

InChI

InChI=1S/C20H19N3O4S/c1-13(18(25)22-19-15(12-21)9-11-28-19)27-20(26)14-5-7-16(8-6-14)23-10-3-2-4-17(23)24/h5-9,11,13H,2-4,10H2,1H3,(H,22,25)