1-hydroxyethyl 3-[4-(bromomethyl)phenyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 1-hydroxyethyl 3-[4-(bromomethyl)phenyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 1-hydroxyethyl 3-[4-(bromomethyl)phenyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[4-(bromomethyl)phenyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 1-hydroxyethyl ester IUPAC Name: 1-hydroxyethyl 3-[4-(bromomethyl)phenyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-[4-(bromomethyl)phenyl]-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 1-hydroxyethyl ester Formula: C15H14BrNO4S MolecularWeight: 384.24496

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)OC(=O)C1=C(SC2N1C(=O)C2)C3=CC=C(C=C3)CBr

Isomeric SMILES

CC(O)OC(=O)C1=C(SC2N1C(=O)C2)C3=CC=C(C=C3)CBr

InChI

InChI=1S/C15H14BrNO4S/c1-8(18)21-15(20)13-14(22-12-6-11(19)17(12)13)10-4-2-9(7-16)3-5-10/h2-5,8,12,18H,6-7H2,1H3