(3S)-N-[(1S)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-2-yl-ethyl]-N-(4-methoxyphenyl)-5-oxidanylidene-thiolane-3-carboxamide

Systemtic Name: (3S)-N-[(1S)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-2-yl-ethyl]-N-(4-methoxyphenyl)-5-oxidanylidene-thiolane-3-carboxamide Openeye Name: (3S)-N-[(1S)-2-(tert-butylamino)-2-oxo-1-(2-pyridyl)ethyl]-N-(4-methoxyphenyl)-5-oxo-tetrahydrothiophene-3-carboxamide CAS Name: (3S)-N-[(1S)-2-(tert-butylamino)-2-oxo-1-(2-pyridinyl)ethyl]-N-(4-methoxyphenyl)-5-oxo-3-thiolanecarboxamide IUPAC Name: (3S)-N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-methoxyphenyl)-5-oxothiolane-3-carboxamide Traditional Name: (3S)-N-[(1S)-2-(tert-butylamino)-2-keto-1-(2-pyridyl)ethyl]-5-keto-N-(4-methoxyphenyl)tetrahydrothiophene-3-carboxamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(C1=CC=CC=N1)N(C2=CC=C(C=C2)OC)C(=O)C3CC(=O)SC3

Isomeric SMILES

CC(C)(C)NC(=O)[C@H](C1=CC=CC=N1)N(C2=CC=C(C=C2)OC)C(=O)[C@@H]3CC(=O)SC3

InChI

InChI=1S/C23H27N3O4S/c1-23(2,3)25-21(28)20(18-7-5-6-12-24-18)26(16-8-10-17(30-4)11-9-16)22(29)15-13-19(27)31-14-15/h5-12,15,20H,13-14H2,1-4H3,(H,25,28)/t15-,20+/m1/s1