prop-2-enyl (6R,7S)-7-azanyl-8-oxidanylidene-3-[2-(prop-2-enoxycarbonylamino)-1,3-thiazol-4-yl]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: prop-2-enyl (6R,7S)-7-azanyl-8-oxidanylidene-3-[2-(prop-2-enoxycarbonylamino)-1,3-thiazol-4-yl]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: allyl (6R,7S)-3-[2-(allyloxycarbonylamino)thiazol-4-yl]-7-amino-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7S)-7-amino-8-oxo-3-[2-[[oxo(prop-2-enoxy)methyl]amino]-4-thiazolyl]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (6R,7S)-7-amino-8-oxo-3-[2-(prop-2-enoxycarbonylamino)-1,3-thiazol-4-yl]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7S)-3-[2-(allyloxycarbonylamino)thiazol-4-yl]-7-amino-8-keto-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid allyl ester Formula: C18H20N4O5S MolecularWeight: 404.4402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1=C(CCC2N1C(=O)C2N)C3=CSC(=N3)NC(=O)OCC=C

Isomeric SMILES

C=CCOC(=O)C1=C(CC[C@H]2N1C(=O)[C@H]2N)C3=CSC(=N3)NC(=O)OCC=C

InChI

InChI=1S/C18H20N4O5S/c1-3-7-26-16(24)14-10(5-6-12-13(19)15(23)22(12)14)11-9-28-17(20-11)21-18(25)27-8-4-2/h3-4,9,12-13H,1-2,5-8,19H2,(H,20,21,25)/t12-,13+/m1/s1