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

Systemtic Name: 7-methoxy-7-[(3-methoxy-3-oxidanylidene-2-phenyl-propanoyl)amino]-8-oxidanylidene-3-propanoyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-methoxy-7-[(3-methoxy-3-oxo-2-phenyl-propanoyl)amino]-8-oxo-3-propanoyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-methoxy-7-[(3-methoxy-1,3-dioxo-2-phenylpropyl)amino]-8-oxo-3-(1-oxopropyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-methoxy-7-[(3-methoxy-3-oxo-2-phenylpropanoyl)amino]-8-oxo-3-propanoyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[(3-keto-3-methoxy-2-phenyl-propanoyl)amino]-7-methoxy-3-propionyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H22N2O8S MolecularWeight: 462.47298

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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)OC)OC)SC1)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O8S/c1-4-13(24)12-10-32-20-21(31-3,19(29)23(20)15(12)17(26)27)22-16(25)14(18(28)30-2)11-8-6-5-7-9-11/h5-9,14,20H,4,10H2,1-3H3,(H,22,25)(H,26,27)