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

Systemtic Name: 3-methyl-2-[(3S)-2-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]but-3-enoic acid Openeye Name: 3-methyl-2-[(3S)-2-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-3-enoic acid CAS Name: 3-methyl-2-[(3S)-2-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-3-butenoic acid IUPAC Name: 3-methyl-2-[(3S)-2-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-3-enoic acid Traditional Name: 2-[(3S)-2-keto-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoic acid Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)O)N1CC(C1=O)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(=C)C(C(=O)O)N1C[C@@H](C1=O)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O5/c1-10(2)14(16(21)22)18-8-12(15(18)20)17-13(19)9-23-11-6-4-3-5-7-11/h3-7,12,14H,1,8-9H2,2H3,(H,17,19)(H,21,22)/t12-,14?/m0/s1