tert-butyl 7-azanyl-3-[(4-methoxyphenyl)methoxycarbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 7-azanyl-3-[(4-methoxyphenyl)methoxycarbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 7-amino-3-[(4-methoxyphenyl)methoxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-[[(4-methoxyphenyl)methoxy-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-amino-3-[(4-methoxyphenyl)methoxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-8-keto-3-(p-anisyloxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(CSC2N1C(=O)C2N)NC(=O)OCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(CSC2N1C(=O)C2N)NC(=O)OCC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H25N3O6S/c1-20(2,3)29-18(25)15-13(10-30-17-14(21)16(24)23(15)17)22-19(26)28-9-11-5-7-12(27-4)8-6-11/h5-8,14,17H,9-10,21H2,1-4H3,(H,22,26)