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

Systemtic Name: (2R,5R,6R)-6-[(7-methoxyquinazolin-4-yl)amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: (2R,5R,6R)-6-[(7-methoxyquinazolin-4-yl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: (2R,5R,6R)-6-[(7-methoxy-4-quinazolinyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: (2R,5R,6R)-6-[(7-methoxyquinazolin-4-yl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: (2R,5R,6R)-7-keto-6-[(7-methoxyquinazolin-4-yl)amino]-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC3=NC=NC4=C3C=CC(=C4)OC)C(=O)O)C

Isomeric SMILES

CC1([C@H](N2[C@H](S1)[C@@H](C2=O)NC3=NC=NC4=C3C=CC(=C4)OC)C(=O)O)C

InChI

InChI=1S/C17H18N4O4S/c1-17(2)12(16(23)24)21-14(22)11(15(21)26-17)20-13-9-5-4-8(25-3)6-10(9)18-7-19-13/h4-7,11-12,15H,1-3H3,(H,23,24)(H,18,19,20)/t11-,12-,15-/m1/s1