sodium 7-[(2-azanyl-2-phenyl-ethanoyl)amino]-8-oxidanylidene-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 7-[(2-azanyl-2-phenyl-ethanoyl)amino]-8-oxidanylidene-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 7-[(2-amino-2-phenyl-acetyl)amino]-8-oxo-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 7-[(2-amino-1-oxo-2-phenylethyl)amino]-8-oxo-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 7-[(2-amino-2-phenylacetyl)amino]-8-oxo-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 7-[(2-amino-2-phenyl-acetyl)amino]-8-keto-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C18H18N3NaO4S MolecularWeight: 395.40799

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)[O-].[Na+]

Isomeric SMILES

C/C=C/C1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H19N3O4S.Na/c1-2-6-11-9-26-17-13(16(23)21(17)14(11)18(24)25)20-15(22)12(19)10-7-4-3-5-8-10;/h2-8,12-13,17H,9,19H2,1H3,(H,20,22)(H,24,25);/q;+1/p-1/b6-2+;