6-(1-hydroxyethyl)-7-oxidanylidene-3-(3-phenyliminocyclobutyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-7-oxidanylidene-3-(3-phenyliminocyclobutyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-7-oxo-3-(3-phenyliminocyclobutyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-(3-phenyliminocyclobutyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-7-oxo-3-(3-phenyliminocyclobutyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-(3-phenyliminocyclobutyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)C3CC(=NC4=CC=CC=C4)C3)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)C3CC(=NC4=CC=CC=C4)C3)C(=O)O)O

InChI

InChI=1S/C18H18N2O4S/c1-9(21)13-16(22)20-14(18(23)24)15(25-17(13)20)10-7-12(8-10)19-11-5-3-2-4-6-11/h2-6,9-10,13,17,21H,7-8H2,1H3,(H,23,24)