[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-(4-morpholinoanilino)-2-oxo-ethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: 3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid [2-keto-2-(4-morpholinoanilino)ethyl] ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=C(C=C1)N2CCOCC2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=CC=C(C=C1)N2CCOCC2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H27N3O5S/c1-15(2)20(24-21(27)18-4-3-13-31-18)22(28)30-14-19(26)23-16-5-7-17(8-6-16)25-9-11-29-12-10-25/h3-8,13,15,20H,9-12,14H2,1-2H3,(H,23,26)(H,24,27)