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

Systemtic Name: 7-methoxy-8-oxidanylidene-7-[(3-oxidanyl-3-oxidanylidene-2-phenyl-propanoyl)amino]-3-propanoyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(3-hydroxy-3-oxo-2-phenyl-propanoyl)amino]-7-methoxy-8-oxo-3-propanoyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(3-hydroxy-1,3-dioxo-2-phenylpropyl)amino]-7-methoxy-8-oxo-3-(1-oxopropyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(3-hydroxy-3-oxo-2-phenylpropanoyl)amino]-7-methoxy-8-oxo-3-propanoyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(3-hydroxy-3-keto-2-phenyl-propanoyl)amino]-8-keto-7-methoxy-3-propionyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H20N2O8S MolecularWeight: 448.4464

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(N2C(C(C2=O)(NC(=O)C(C3=CC=CC=C3)C(=O)O)OC)SC1)C(=O)O

Isomeric SMILES

CCC(=O)C1=C(N2C(C(C2=O)(NC(=O)C(C3=CC=CC=C3)C(=O)O)OC)SC1)C(=O)O

InChI

InChI=1S/C20H20N2O8S/c1-3-12(23)11-9-31-19-20(30-2,18(29)22(19)14(11)17(27)28)21-15(24)13(16(25)26)10-7-5-4-6-8-10/h4-8,13,19H,3,9H2,1-2H3,(H,21,24)(H,25,26)(H,27,28)