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

Systemtic Name: 2-[2-(ethanimidoyldisulfanyl)-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]-3-methyl-but-3-enoic acid Openeye Name: 2-[2-(ethanimidoyldisulfanyl)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoic acid CAS Name: 2-[2-(1-iminoethyldisulfanyl)-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-3-methyl-3-butenoic acid IUPAC Name: 2-[2-(ethanimidoyldisulfanyl)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methylbut-3-enoic acid Traditional Name: 2-[2-(acetimidoyldisulfanyl)-4-keto-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoic acid Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)O)N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)SSC(=N)C

Isomeric SMILES

CC(=C)C(C(=O)O)N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)SSC(=N)C

InChI

InChI=1S/C18H21N3O5S2/c1-10(2)15(18(24)25)21-16(23)14(17(21)28-27-11(3)19)20-13(22)9-26-12-7-5-4-6-8-12/h4-8,14-15,17,19H,1,9H2,2-3H3,(H,20,22)(H,24,25)