3-methoxy-8-oxidanylidene-7-[(3-oxidanylidene-3-phenyl-propanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-methoxy-8-oxidanylidene-7-[(3-oxidanylidene-3-phenyl-propanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-methoxy-8-oxo-7-[(3-oxo-3-phenyl-propanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(1,3-dioxo-3-phenylpropyl)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-methoxy-8-oxo-7-[(3-oxo-3-phenylpropanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[(3-keto-3-phenyl-propanoyl)amino]-3-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N2C(C(C2=O)NC(=O)CC(=O)C3=CC=CC=C3)SC1)C(=O)O

Isomeric SMILES

COC1=C(N2C(C(C2=O)NC(=O)CC(=O)C3=CC=CC=C3)SC1)C(=O)O

InChI

InChI=1S/C17H16N2O6S/c1-25-11-8-26-16-13(15(22)19(16)14(11)17(23)24)18-12(21)7-10(20)9-5-3-2-4-6-9/h2-6,13,16H,7-8H2,1H3,(H,18,21)(H,23,24)