[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 2-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)propanoic acid [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 2-phthalimidopropionic acid [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=C(C2=C(S1)CCCC2)C#N)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C(=O)OCC(=O)NC1=C(C2=C(S1)CCCC2)C#N)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H19N3O5S/c1-12(25-20(27)14-7-2-3-8-15(14)21(25)28)22(29)30-11-18(26)24-19-16(10-23)13-6-4-5-9-17(13)31-19/h2-3,7-8,12H,4-6,9,11H2,1H3,(H,24,26)