2-[(2R,3R)-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-2-yl]ethanethioic S-acid

Systemtic Name: 2-[(2R,3R)-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-2-yl]ethanethioic S-acid Openeye Name: 2-[(2R,3R)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]ethanethioic S-acid CAS Name: 2-[(2R,3R)-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-2-azetidinyl]ethanethioic S-acid IUPAC Name: 2-[(2R,3R)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-2-yl]ethanethioic S-acid Traditional Name: 2-[(2R,3R)-4-keto-3-[(2-phenylacetyl)amino]azetidin-2-yl]thioacetic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC2C(NC2=O)CC(=O)S

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)N[C@@H]2[C@H](NC2=O)CC(=O)S

InChI

InChI=1S/C13H14N2O3S/c16-10(6-8-4-2-1-3-5-8)15-12-9(7-11(17)19)14-13(12)18/h1-5,9,12H,6-7H2,(H,14,18)(H,15,16)(H,17,19)/t9-,12-/m1/s1