tert-butyl 4-[cyclopropyl-(3-ethoxy-3-oxidanylidene-propyl)amino]-4-oxidanylidene-3-(pyridin-3-ylsulfonylamino)butanoate

Systemtic Name: tert-butyl 4-[cyclopropyl-(3-ethoxy-3-oxidanylidene-propyl)amino]-4-oxidanylidene-3-(pyridin-3-ylsulfonylamino)butanoate Openeye Name: tert-butyl 4-[cyclopropyl-(3-ethoxy-3-oxo-propyl)amino]-4-oxo-3-(3-pyridylsulfonylamino)butanoate CAS Name: 4-[cyclopropyl-(3-ethoxy-3-oxopropyl)amino]-4-oxo-3-(3-pyridinylsulfonylamino)butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[cyclopropyl-(3-ethoxy-3-oxopropyl)amino]-4-oxo-3-(pyridin-3-ylsulfonylamino)butanoate Traditional Name: 4-[cyclopropyl-(3-ethoxy-3-keto-propyl)amino]-4-keto-3-(3-pyridylsulfonylamino)butyric acid tert-butyl ester Formula: C21H31N3O7S MolecularWeight: 469.55174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1CC1)C(=O)C(CC(=O)OC(C)(C)C)NS(=O)(=O)C2=CN=CC=C2

Isomeric SMILES

CCOC(=O)CCN(C1CC1)C(=O)C(CC(=O)OC(C)(C)C)NS(=O)(=O)C2=CN=CC=C2

InChI

InChI=1S/C21H31N3O7S/c1-5-30-18(25)10-12-24(15-8-9-15)20(27)17(13-19(26)31-21(2,3)4)23-32(28,29)16-7-6-11-22-14-16/h6-7,11,14-15,17,23H,5,8-10,12-13H2,1-4H3