(4-methoxyphenyl)methyl 3,7-diacetamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl 3,7-diacetamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl 3,7-diacetamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3,7-diacetamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 3,7-diacetamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3,7-diacetamido-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C2N(C1=O)C(=C(CS2)NC(=O)C)C(=O)OCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)NC1C2N(C1=O)C(=C(CS2)NC(=O)C)C(=O)OCC3=CC=C(C=C3)OC

InChI

InChI=1S/C19H21N3O6S/c1-10(23)20-14-9-29-18-15(21-11(2)24)17(25)22(18)16(14)19(26)28-8-12-4-6-13(27-3)7-5-12/h4-7,15,18H,8-9H2,1-3H3,(H,20,23)(H,21,24)