7-azanyl-3-(4-ethoxycarbonylphenyl)sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-azanyl-3-(4-ethoxycarbonylphenyl)sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-amino-3-(4-ethoxycarbonylphenyl)sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-[(4-ethoxycarbonylphenyl)thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-amino-3-(4-ethoxycarbonylphenyl)sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-[(4-carbethoxyphenyl)thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C16H15N2O5S2- MolecularWeight: 379.4307

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)SC2=C(N3C(C(C3=O)N)SC2)C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)SC2=C(N3C(C(C3=O)N)SC2)C(=O)[O-]

InChI

InChI=1S/C16H16N2O5S2/c1-2-23-16(22)8-3-5-9(6-4-8)25-10-7-24-14-11(17)13(19)18(14)12(10)15(20)21/h3-6,11,14H,2,7,17H2,1H3,(H,20,21)/p-1