3-methyl-2-[2-nitrososulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]but-3-enoic acid

Systemtic Name: 3-methyl-2-[2-nitrososulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]but-3-enoic acid Openeye Name: 3-methyl-2-[2-nitrososulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-3-enoic acid CAS Name: 3-methyl-2-[2-(nitrosothio)-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-3-butenoic acid IUPAC Name: 3-methyl-2-[2-nitrososulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-3-enoic acid Traditional Name: 2-[2-keto-4-(nitrosothio)-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoic acid Formula: C16H17N3O6S MolecularWeight: 379.38768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)O)N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)SN=O

Isomeric SMILES

CC(=C)C(C(=O)O)N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)SN=O

InChI

InChI=1S/C16H17N3O6S/c1-9(2)13(16(22)23)19-14(21)12(15(19)26-18-24)17-11(20)8-25-10-6-4-3-5-7-10/h3-7,12-13,15H,1,8H2,2H3,(H,17,20)(H,22,23)