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

Systemtic Name: sodium 3,3-dimethyl-7-oxidanylidene-6-[[2-(phenylmethyl)-1-(3-propoxyphenyl)cyclopentyl]carbonylamino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium 6-[[2-benzyl-1-(3-propoxyphenyl)cyclopentanecarbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium 3,3-dimethyl-7-oxo-6-[[oxo-[2-(phenylmethyl)-1-(3-propoxyphenyl)cyclopentyl]methyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium 6-[[2-benzyl-1-(3-propoxyphenyl)cyclopentanecarbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 6-[[2-benzyl-1-(3-propoxyphenyl)cyclopentanecarbonyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C30H35N2NaO5S MolecularWeight: 558.66407

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2(CCCC2CC3=CC=CC=C3)C(=O)NC4C5N(C4=O)C(C(S5)(C)C)C(=O)[O-].[Na+]

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2(CCCC2CC3=CC=CC=C3)C(=O)NC4C5N(C4=O)C(C(S5)(C)C)C(=O)[O-].[Na+]

InChI

InChI=1S/C30H36N2O5S.Na/c1-4-16-37-22-14-8-12-21(18-22)30(15-9-13-20(30)17-19-10-6-5-7-11-19)28(36)31-23-25(33)32-24(27(34)35)29(2,3)38-26(23)32;/h5-8,10-12,14,18,20,23-24,26H,4,9,13,15-17H2,1-3H3,(H,31,36)(H,34,35);/q;+1/p-1