2-[(3R,4R)-2-oxidanylidene-4-(phenylmethyl)sulfonyl-3-(2-thiophen-2-ylethanoylamino)azetidin-1-yl]ethanoic acid

Systemtic Name: 2-[(3R,4R)-2-oxidanylidene-4-(phenylmethyl)sulfonyl-3-(2-thiophen-2-ylethanoylamino)azetidin-1-yl]ethanoic acid Openeye Name: 2-[(2R,3R)-2-benzylsulfonyl-4-oxo-3-[[2-(2-thienyl)acetyl]amino]azetidin-1-yl]acetic acid CAS Name: 2-[(3R,4R)-2-oxo-3-[(1-oxo-2-thiophen-2-ylethyl)amino]-4-(phenylmethyl)sulfonyl-1-azetidinyl]acetic acid IUPAC Name: 2-[(2R,3R)-2-benzylsulfonyl-4-oxo-3-[(2-thiophen-2-ylacetyl)amino]azetidin-1-yl]acetic acid Traditional Name: 2-[(2R,3R)-2-benzylsulfonyl-4-keto-3-[[2-(2-thienyl)acetyl]amino]azetidin-1-yl]acetic acid Formula: C18H18N2O6S2 MolecularWeight: 422.47532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C2C(C(=O)N2CC(=O)O)NC(=O)CC3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)[C@@H]2[C@@H](C(=O)N2CC(=O)O)NC(=O)CC3=CC=CS3

InChI

InChI=1S/C18H18N2O6S2/c21-14(9-13-7-4-8-27-13)19-16-17(24)20(10-15(22)23)18(16)28(25,26)11-12-5-2-1-3-6-12/h1-8,16,18H,9-11H2,(H,19,21)(H,22,23)/t16-,18-/m1/s1