(diphenylmethyl) 7-azanyl-3-[(5-methoxycarbonylthiophen-2-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-azanyl-3-[(5-methoxycarbonylthiophen-2-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-amino-3-[(5-methoxycarbonyl-2-thienyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-[(5-methoxycarbonyl-2-thiophenyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-amino-3-[(5-methoxycarbonylthiophen-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-[(5-carbomethoxy-2-thienyl)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C27H24N2O5S2 MolecularWeight: 520.61986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)CC2=C(N3C(C(C3=O)N)SC2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(S1)CC2=C(N3C(C(C3=O)N)SC2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N2O5S2/c1-33-26(31)20-13-12-19(36-20)14-18-15-35-25-21(28)24(30)29(25)22(18)27(32)34-23(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,21,23,25H,14-15,28H2,1H3