sodium 3,3-dimethyl-7-oxidanylidene-6-[(3,4,5-trimethoxyphenyl)carbonylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: sodium 3,3-dimethyl-7-oxidanylidene-6-[(3,4,5-trimethoxyphenyl)carbonylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium 3,3-dimethyl-7-oxo-6-[(3,4,5-trimethoxybenzoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium 3,3-dimethyl-7-oxo-6-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium 3,3-dimethyl-7-oxo-6-[(3,4,5-trimethoxybenzoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 7-keto-3,3-dimethyl-6-[(3,4,5-trimethoxybenzoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C18H21N2NaO7S MolecularWeight: 432.42331

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C18H22N2O7S.Na/c1-18(2)13(17(23)24)20-15(22)11(16(20)28-18)19-14(21)8-6-9(25-3)12(27-5)10(7-8)26-4;/h6-7,11,13,16H,1-5H3,(H,19,21)(H,23,24);/q;+1/p-1