2-[3-chloranyl-2-oxidanylidene-4-(phenylmethylsulfanyl)azetidin-1-yl]ethanoic acid

Systemtic Name: 2-[3-chloranyl-2-oxidanylidene-4-(phenylmethylsulfanyl)azetidin-1-yl]ethanoic acid Openeye Name: 2-(2-benzylsulfanyl-3-chloro-4-oxo-azetidin-1-yl)acetic acid CAS Name: 2-[3-chloro-2-oxo-4-(phenylmethylthio)-1-azetidinyl]acetic acid IUPAC Name: 2-(2-benzylsulfanyl-3-chloro-4-oxoazetidin-1-yl)acetic acid Traditional Name: 2-[2-(benzylthio)-3-chloro-4-keto-azetidin-1-yl]acetic acid Formula: C12H12ClNO3S MolecularWeight: 285.74658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2C(C(=O)N2CC(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2C(C(=O)N2CC(=O)O)Cl

InChI

InChI=1S/C12H12ClNO3S/c13-10-11(17)14(6-9(15)16)12(10)18-7-8-4-2-1-3-5-8/h1-5,10,12H,6-7H2,(H,15,16)