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

Systemtic Name: 3-methyl-8-oxidanylidene-7-[(3-oxidanylidene-2-phenyl-3-phenylmethoxy-propanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(3-benzyloxy-3-oxo-2-phenyl-propanoyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(1,3-dioxo-2-phenyl-3-phenylmethoxypropyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-methyl-8-oxo-7-[(3-oxo-2-phenyl-3-phenylmethoxypropanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(3-benzoxy-3-keto-2-phenyl-propanoyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C24H22N2O6S MolecularWeight: 466.50628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)SC1)C(=O)O

InChI

InChI=1S/C24H22N2O6S/c1-14-13-33-22-18(21(28)26(22)19(14)23(29)30)25-20(27)17(16-10-6-3-7-11-16)24(31)32-12-15-8-4-2-5-9-15/h2-11,17-18,22H,12-13H2,1H3,(H,25,27)(H,29,30)