(2R,5R,6R)-6-[(6,7-dimethoxyquinazolin-4-yl)amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (2R,5R,6R)-6-[(6,7-dimethoxyquinazolin-4-yl)amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (2R,5R,6R)-6-[(6,7-dimethoxyquinazolin-4-yl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: (2R,5R,6R)-6-[(6,7-dimethoxy-4-quinazolinyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: (2R,5R,6R)-6-[(6,7-dimethoxyquinazolin-4-yl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: (2R,5R,6R)-6-[(6,7-dimethoxyquinazolin-4-yl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C18H19N4O5S- MolecularWeight: 403.43226

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC3=NC=NC4=CC(=C(C=C43)OC)OC)C(=O)[O-])C

Isomeric SMILES

CC1([C@H](N2[C@H](S1)[C@@H](C2=O)NC3=NC=NC4=CC(=C(C=C43)OC)OC)C(=O)[O-])C

InChI

InChI=1S/C18H20N4O5S/c1-18(2)13(17(24)25)22-15(23)12(16(22)28-18)21-14-8-5-10(26-3)11(27-4)6-9(8)19-7-20-14/h5-7,12-13,16H,1-4H3,(H,24,25)(H,19,20,21)/p-1/t12-,13-,16-/m1/s1