(4-methoxyphenyl)methyl (6R,7R)-3-(1,3-benzothiazol-2-ylsulfanyl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (6R,7R)-3-(1,3-benzothiazol-2-ylsulfanyl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl (6R,7R)-3-(1,3-benzothiazol-2-ylsulfanyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-3-(1,3-benzothiazol-2-ylthio)-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (6R,7R)-3-(1,3-benzothiazol-2-ylsulfanyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-3-(1,3-benzothiazol-2-ylthio)-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C30H25N3O5S3 MolecularWeight: 603.7316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=O)CC4=CC=CC=C4)SC5=NC6=CC=CC=C6S5

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)CC4=CC=CC=C4)SC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C30H25N3O5S3/c1-37-20-13-11-19(12-14-20)16-38-29(36)26-23(41-30-31-21-9-5-6-10-22(21)40-30)17-39-28-25(27(35)33(26)28)32-24(34)15-18-7-3-2-4-8-18/h2-14,25,28H,15-17H2,1H3,(H,32,34)/t25-,28-/m1/s1