(E)-3-chloranyl-2-[2-oxidanylidene-4-sulfanyl-3-(2-thiophen-2-ylethanoylamino)azetidin-1-yl]but-2-enoic acid

Systemtic Name: (E)-3-chloranyl-2-[2-oxidanylidene-4-sulfanyl-3-(2-thiophen-2-ylethanoylamino)azetidin-1-yl]but-2-enoic acid Openeye Name: (E)-3-chloro-2-[2-oxo-4-sulfanyl-3-[[2-(2-thienyl)acetyl]amino]azetidin-1-yl]but-2-enoic acid CAS Name: (E)-3-chloro-2-[2-mercapto-4-oxo-3-[(1-oxo-2-thiophen-2-ylethyl)amino]-1-azetidinyl]-2-butenoic acid IUPAC Name: (E)-3-chloro-2-[2-oxo-4-sulfanyl-3-[(2-thiophen-2-ylacetyl)amino]azetidin-1-yl]but-2-enoic acid Traditional Name: (E)-3-chloro-2-[2-keto-4-mercapto-3-[[2-(2-thienyl)acetyl]amino]azetidin-1-yl]but-2-enoic acid Formula: C13H13ClN2O4S2 MolecularWeight: 360.83632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)O)N1C(C(C1=O)NC(=O)CC2=CC=CS2)S)Cl

Isomeric SMILES

C/C(=C(/C(=O)O)\N1C(C(C1=O)NC(=O)CC2=CC=CS2)S)/Cl

InChI

InChI=1S/C13H13ClN2O4S2/c1-6(14)10(13(19)20)16-11(18)9(12(16)21)15-8(17)5-7-3-2-4-22-7/h2-4,9,12,21H,5H2,1H3,(H,15,17)(H,19,20)/b10-6+