methyl (6R,7R)-3-methyl-8-oxidanylidene-7-(phenylmethoxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: methyl (6R,7R)-3-methyl-8-oxidanylidene-7-(phenylmethoxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: methyl (6R,7R)-7-(benzyloxycarbonylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-3-methyl-8-oxo-7-(phenylmethoxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester IUPAC Name: methyl (6R,7R)-3-methyl-8-oxo-7-(phenylmethoxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-(benzyloxycarbonylamino)-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)OCC3=CC=CC=C3)SC1)C(=O)OC

Isomeric SMILES

CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)OCC3=CC=CC=C3)SC1)C(=O)OC

InChI

InChI=1S/C17H18N2O5S/c1-10-9-25-15-12(14(20)19(15)13(10)16(21)23-2)18-17(22)24-8-11-6-4-3-5-7-11/h3-7,12,15H,8-9H2,1-2H3,(H,18,22)/t12-,15-/m1/s1