2-[2-[(3-methoxy-2-oxidanylidene-1-sulfo-azetidin-3-yl)amino]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 2-[2-[(3-methoxy-2-oxidanylidene-1-sulfo-azetidin-3-yl)amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 2-[2-[(3-methoxy-2-oxo-1-sulfo-azetidin-3-yl)amino]-2-oxo-ethyl]benzoic acid CAS Name: 2-[2-[(3-methoxy-2-oxo-1-sulfo-3-azetidinyl)amino]-2-oxoethyl]benzoic acid IUPAC Name: 2-[2-[(3-methoxy-2-oxo-1-sulfoazetidin-3-yl)amino]-2-oxoethyl]benzoic acid Traditional Name: 2-[2-keto-2-[(2-keto-3-methoxy-1-sulfo-azetidin-3-yl)amino]ethyl]benzoic acid Formula: C13H14N2O8S MolecularWeight: 358.32386

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CN(C1=O)S(=O)(=O)O)NC(=O)CC2=CC=CC=C2C(=O)O

Isomeric SMILES

COC1(CN(C1=O)S(=O)(=O)O)NC(=O)CC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H14N2O8S/c1-23-13(7-15(12(13)19)24(20,21)22)14-10(16)6-8-4-2-3-5-9(8)11(17)18/h2-5H,6-7H2,1H3,(H,14,16)(H,17,18)(H,20,21,22)