prop-2-enyl 6-(1-hydroxyethyl)-3-(2-imidazol-1-ylethylsulfanyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: prop-2-enyl 6-(1-hydroxyethyl)-3-(2-imidazol-1-ylethylsulfanyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: allyl 6-(1-hydroxyethyl)-3-(2-imidazol-1-ylethylsulfanyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-3-[2-(1-imidazolyl)ethylthio]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 6-(1-hydroxyethyl)-3-(2-imidazol-1-ylethylsulfanyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-3-(2-imidazol-1-ylethylthio)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid allyl ester Formula: C16H19N3O4S2 MolecularWeight: 381.46976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)SCCN3C=CN=C3)C(=O)OCC=C)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)SCCN3C=CN=C3)C(=O)OCC=C)O

InChI

InChI=1S/C16H19N3O4S2/c1-3-7-23-15(22)12-16(24-8-6-18-5-4-17-9-18)25-14-11(10(2)20)13(21)19(12)14/h3-5,9-11,14,20H,1,6-8H2,2H3