7-[[2-methanoyloxy-2-(4-methoxyphenyl)ethanoyl]amino]-8-oxidanylidene-3-phenylmethoxycarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[[2-methanoyloxy-2-(4-methoxyphenyl)ethanoyl]amino]-8-oxidanylidene-3-phenylmethoxycarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-benzyloxycarbonyl-7-[[2-formyloxy-2-(4-methoxyphenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[2-formyloxy-2-(4-methoxyphenyl)-1-oxoethyl]amino]-8-oxo-3-phenylmethoxycarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[[2-formyloxy-2-(4-methoxyphenyl)acetyl]amino]-8-oxo-3-phenylmethoxycarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-carbobenzoxy-7-[[2-formyloxy-2-(4-methoxyphenyl)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C25H21N2O9S- MolecularWeight: 525.50724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(=O)NC2C3N(C2=O)C(=C(CS3)C(=O)OCC4=CC=CC=C4)C(=O)[O-])OC=O

Isomeric SMILES

COC1=CC=C(C=C1)C(C(=O)NC2C3N(C2=O)C(=C(CS3)C(=O)OCC4=CC=CC=C4)C(=O)[O-])OC=O

InChI

InChI=1S/C25H22N2O9S/c1-34-16-9-7-15(8-10-16)20(36-13-28)21(29)26-18-22(30)27-19(24(31)32)17(12-37-23(18)27)25(33)35-11-14-5-3-2-4-6-14/h2-10,13,18,20,23H,11-12H2,1H3,(H,26,29)(H,31,32)/p-1