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

Systemtic Name: 3-(4-ethoxycarbonylphenyl)sulfanyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-(4-ethoxycarbonylphenyl)sulfanyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[(4-ethoxycarbonylphenyl)thio]-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-(4-ethoxycarbonylphenyl)sulfanyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[(4-carbethoxyphenyl)thio]-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C24H21N2O6S2- MolecularWeight: 497.56334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)SC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)SC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)[O-]

InChI

InChI=1S/C24H22N2O6S2/c1-2-32-24(31)15-8-10-16(11-9-15)34-17-13-33-22-19(21(28)26(22)20(17)23(29)30)25-18(27)12-14-6-4-3-5-7-14/h3-11,19,22H,2,12-13H2,1H3,(H,25,27)(H,29,30)/p-1