2-[2-[[2-(diphenylmethyl)oxycarbonyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]sulfanyl]-4-methyl-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-[[2-(diphenylmethyl)oxycarbonyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]sulfanyl]-4-methyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-[[2-benzhydryloxycarbonyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]sulfanyl]-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-[[2-[(diphenylmethyl)oxy-oxomethyl]-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-methyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-[[2-benzhydryloxycarbonyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]sulfanyl]-4-methyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[[2-benzhydryloxycarbonyl-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-methyl-thiazol-5-yl]acetic acid Formula: C34H29N3O6S3 MolecularWeight: 671.80556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6)CC(=O)O

InChI

InChI=1S/C34H29N3O6S3/c1-20-24(18-27(39)40)45-34(35-20)46-25-19-44-32-28(36-26(38)17-21-11-5-2-6-12-21)31(41)37(32)29(25)33(42)43-30(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,28,30,32H,17-19H2,1H3,(H,36,38)(H,39,40)