2-[3-cyano-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)-1,8-naphthyridin-1-yl]ethyl ethanoate

Systemtic Name: 2-[3-cyano-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)-1,8-naphthyridin-1-yl]ethyl ethanoate Openeye Name: 2-[3-cyano-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,8-naphthyridin-1-yl]ethyl acetate CAS Name: acetic acid 2-[3-cyano-2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-1,8-naphthyridin-1-yl]ethyl ester IUPAC Name: 2-[3-cyano-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,8-naphthyridin-1-yl]ethyl acetate Traditional Name: acetic acid 2-[3-cyano-2-keto-4-[4-(2-thenoyl)piperazino]-1,8-naphthyridin-1-yl]ethyl ester Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C2=C(C=CC=N2)C(=C(C1=O)C#N)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC(=O)OCCN1C2=C(C=CC=N2)C(=C(C1=O)C#N)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H21N5O4S/c1-15(28)31-12-11-27-20-16(4-2-6-24-20)19(17(14-23)21(27)29)25-7-9-26(10-8-25)22(30)18-5-3-13-32-18/h2-6,13H,7-12H2,1H3