(4-methoxyphenyl)methyl (6S)-3-(chloromethyl)-7-formamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (6S)-3-(chloromethyl)-7-formamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl (6S)-3-(chloromethyl)-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6S)-3-(chloromethyl)-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (6S)-3-(chloromethyl)-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6S)-3-(chloromethyl)-7-formamido-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3NC=O)CCl

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@@H]3N2C(=O)C3NC=O)CCl

InChI

InChI=1S/C17H17ClN2O5S/c1-24-12-4-2-10(3-5-12)7-25-17(23)14-11(6-18)8-26-16-13(19-9-21)15(22)20(14)16/h2-5,9,13,16H,6-8H2,1H3,(H,19,21)/t13?,16-/m0/s1