[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-oxo-2-(5-quinolylamino)ethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: 3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [2-oxo-2-(5-quinolinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(quinolin-5-ylamino)ethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid [2-keto-2-(5-quinolylamino)ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=CC2=C1C=CC=N2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=CC=CC2=C1C=CC=N2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H21N3O4S/c1-13(2)19(24-20(26)17-9-5-11-29-17)21(27)28-12-18(25)23-16-8-3-7-15-14(16)6-4-10-22-15/h3-11,13,19H,12H2,1-2H3,(H,23,25)(H,24,26)