(diphenylmethyl) 7-formamido-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-formamido-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-formamido-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-formamido-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-formamido-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-formamido-8-keto-3-[[(1-methyltetrazol-5-yl)thio]methyl]-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C30H27N7O5S3 MolecularWeight: 661.77428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC=O)NC(=O)CC4=CC=CS4)SC2)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC=O)NC(=O)CC4=CC=CS4)SC2)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H27N7O5S3/c1-36-29(33-34-35-36)45-17-21-16-44-28-30(31-18-38,32-23(39)15-22-13-8-14-43-22)27(41)37(28)24(21)26(40)42-25(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-14,18,25,28H,15-17H2,1H3,(H,31,38)(H,32,39)