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

Systemtic Name: sodium (E)-3-chloranyl-2-[2-oxidanylidene-4-sulfanyl-3-(2-thiophen-2-ylethanoylamino)azetidin-1-yl]but-2-enoate Openeye Name: sodium (E)-3-chloro-2-[2-oxo-4-sulfanyl-3-[[2-(2-thienyl)acetyl]amino]azetidin-1-yl]but-2-enoate CAS Name: sodium (E)-3-chloro-2-[2-mercapto-4-oxo-3-[(1-oxo-2-thiophen-2-ylethyl)amino]-1-azetidinyl]-2-butenoate IUPAC Name: sodium (E)-3-chloro-2-[2-oxo-4-sulfanyl-3-[(2-thiophen-2-ylacetyl)amino]azetidin-1-yl]but-2-enoate Traditional Name: sodium (E)-3-chloro-2-[2-keto-4-mercapto-3-[[2-(2-thienyl)acetyl]amino]azetidin-1-yl]but-2-enoate Formula: C13H12ClN2NaO4S2 MolecularWeight: 382.81815

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)[O-])N1C(C(C1=O)NC(=O)CC2=CC=CS2)S)Cl.[Na+]

Isomeric SMILES

C/C(=C(/C(=O)[O-])\N1C(C(C1=O)NC(=O)CC2=CC=CS2)S)/Cl.[Na+]

InChI

InChI=1S/C13H13ClN2O4S2.Na/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);/q;+1/p-1/b10-6+;