2-chloranyl-2-[2-oxidanylidene-4-[4-(phenylmethoxycarbonylamino)butanoylsulfanyl]azetidin-1-yl]ethanoic acid

Systemtic Name: 2-chloranyl-2-[2-oxidanylidene-4-[4-(phenylmethoxycarbonylamino)butanoylsulfanyl]azetidin-1-yl]ethanoic acid Openeye Name: 2-[2-[4-(benzyloxycarbonylamino)butanoylsulfanyl]-4-oxo-azetidin-1-yl]-2-chloro-acetic acid CAS Name: 2-chloro-2-[2-oxo-4-[[1-oxo-4-(phenylmethoxycarbonylamino)butyl]thio]-1-azetidinyl]acetic acid IUPAC Name: 2-chloro-2-[2-oxo-4-[4-(phenylmethoxycarbonylamino)butanoylsulfanyl]azetidin-1-yl]acetic acid Traditional Name: 2-[2-[4-(benzyloxycarbonylamino)butanoylthio]-4-keto-azetidin-1-yl]-2-chloro-acetic acid Formula: C17H19ClN2O6S MolecularWeight: 414.86056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C1=O)C(C(=O)O)Cl)SC(=O)CCCNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1C(N(C1=O)C(C(=O)O)Cl)SC(=O)CCCNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H19ClN2O6S/c18-15(16(23)24)20-12(21)9-13(20)27-14(22)7-4-8-19-17(25)26-10-11-5-2-1-3-6-11/h1-3,5-6,13,15H,4,7-10H2,(H,19,25)(H,23,24)