S-[3-(2-cyanoethanoylamino)-1-[(Z)-1-ethoxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-4-oxidanylidene-azetidin-2-yl] ethanethioate

Systemtic Name: S-[3-(2-cyanoethanoylamino)-1-[(Z)-1-ethoxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-4-oxidanylidene-azetidin-2-yl] ethanethioate Openeye Name: S-[3-[(2-cyanoacetyl)amino]-1-[(1Z)-1-[ethoxy(hydroxy)methylene]-2-oxo-propyl]-4-oxo-azetidin-2-yl] ethanethioate CAS Name: ethanethioic acid S-[3-[(2-cyano-1-oxoethyl)amino]-1-[(Z)-1-ethoxy-1-hydroxy-3-oxobut-1-en-2-yl]-4-oxo-2-azetidinyl] ester IUPAC Name: S-[3-[(2-cyanoacetyl)amino]-1-[(Z)-1-ethoxy-1-hydroxy-3-oxobut-1-en-2-yl]-4-oxoazetidin-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-[(Z)-1-acetyl-2-ethoxy-2-hydroxy-vinyl]-3-[(2-cyanoacetyl)amino]-4-keto-azetidin-2-yl] ester Formula: C14H17N3O6S MolecularWeight: 355.36628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C)N1C(C(C1=O)NC(=O)CC#N)SC(=O)C)O

Isomeric SMILES

CCO/C(=C(/C(=O)C)\N1C(C(C1=O)NC(=O)CC#N)SC(=O)C)/O

InChI

InChI=1S/C14H17N3O6S/c1-4-23-14(22)11(7(2)18)17-12(21)10(13(17)24-8(3)19)16-9(20)5-6-15/h10,13,22H,4-5H2,1-3H3,(H,16,20)/b14-11-