6-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-sulfo-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-sulfo-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[[2-(2,3-dihydrobenzofuran-5-yl)-2-sulfo-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[[2-(2,3-dihydrobenzofuran-5-yl)-1-oxo-2-sulfoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-sulfoacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[(2-coumaran-5-yl-2-sulfo-acetyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C18H20N2O8S2 MolecularWeight: 456.49

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC4=C(C=C3)OCC4)S(=O)(=O)O)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC4=C(C=C3)OCC4)S(=O)(=O)O)C(=O)O)C

InChI

InChI=1S/C18H20N2O8S2/c1-18(2)13(17(23)24)20-15(22)11(16(20)29-18)19-14(21)12(30(25,26)27)9-3-4-10-8(7-9)5-6-28-10/h3-4,7,11-13,16H,5-6H2,1-2H3,(H,19,21)(H,23,24)(H,25,26,27)