sodium 6-[2-[[2-(ethylamino)-2-oxidanylidene-ethyl]-(phenylmethyl)amino]-1-oxidanyl-2-oxidanylidene-ethyl]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: sodium 6-[2-[[2-(ethylamino)-2-oxidanylidene-ethyl]-(phenylmethyl)amino]-1-oxidanyl-2-oxidanylidene-ethyl]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium 6-[2-[benzyl-[2-(ethylamino)-2-oxo-ethyl]amino]-1-hydroxy-2-oxo-ethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium 6-[2-[[2-(ethylamino)-2-oxoethyl]-(phenylmethyl)amino]-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium 6-[2-[benzyl-[2-(ethylamino)-2-oxoethyl]amino]-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 6-[2-[benzyl-[2-(ethylamino)-2-keto-ethyl]amino]-1-hydroxy-2-keto-ethyl]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C21H26N3NaO6S MolecularWeight: 471.50241

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CN(CC1=CC=CC=C1)C(=O)C(C2C3N(C2=O)C(C(S3)(C)C)C(=O)[O-])O.[Na+]

Isomeric SMILES

CCNC(=O)CN(CC1=CC=CC=C1)C(=O)C(C2C3N(C2=O)C(C(S3)(C)C)C(=O)[O-])O.[Na+]

InChI

InChI=1S/C21H27N3O6S.Na/c1-4-22-13(25)11-23(10-12-8-6-5-7-9-12)18(28)15(26)14-17(27)24-16(20(29)30)21(2,3)31-19(14)24;/h5-9,14-16,19,26H,4,10-11H2,1-3H3,(H,22,25)(H,29,30);/q;+1/p-1