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

Systemtic Name: sodium 6-[(1-azanylcyclohexyl)carbonylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium 6-[(1-aminocyclohexanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium 6-[[(1-aminocyclohexyl)-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium 6-[(1-aminocyclohexanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 6-[(1-aminocyclohexanecarbonyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C15H22N3NaO4S MolecularWeight: 363.40765

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C3(CCCCC3)N)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C3(CCCCC3)N)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C15H23N3O4S.Na/c1-14(2)9(12(20)21)18-10(19)8(11(18)23-14)17-13(22)15(16)6-4-3-5-7-15;/h8-9,11H,3-7,16H2,1-2H3,(H,17,22)(H,20,21);/q;+1/p-1