sodium 3-(dipropylamino)-7-oxidanylidene-6-(2-thiophen-2-ylethanoylamino)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium 3-(dipropylamino)-7-oxidanylidene-6-(2-thiophen-2-ylethanoylamino)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 3-(dipropylamino)-7-oxo-6-[[2-(2-thienyl)acetyl]amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 3-(dipropylamino)-7-oxo-6-[(1-oxo-2-thiophen-2-ylethyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 3-(dipropylamino)-7-oxo-6-[(2-thiophen-2-ylacetyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 3-(dipropylamino)-7-keto-6-[[2-(2-thienyl)acetyl]amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C19H24N3NaO4S MolecularWeight: 413.46633

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=C(N2C(C1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-].[Na+]

Isomeric SMILES

CCCN(CCC)C1=C(N2C(C1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-].[Na+]

InChI

InChI=1S/C19H25N3O4S.Na/c1-3-7-21(8-4-2)14-11-13-16(18(24)22(13)17(14)19(25)26)20-15(23)10-12-6-5-9-27-12;/h5-6,9,13,16H,3-4,7-8,10-11H2,1-2H3,(H,20,23)(H,25,26);/q;+1/p-1