3-methyl-8-oxidanylidene-7-[2-(2-phenoxycarbonylphenyl)ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-methyl-8-oxidanylidene-7-[2-(2-phenoxycarbonylphenyl)ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-methyl-8-oxo-7-[[2-(2-phenoxycarbonylphenyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-methyl-8-oxo-7-[[1-oxo-2-[2-[oxo(phenoxy)methyl]phenyl]ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-methyl-8-oxo-7-[[2-(2-phenoxycarbonylphenyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-(2-carbophenoxyphenyl)acetyl]amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H20N2O6S MolecularWeight: 452.4797

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3C(=O)OC4=CC=CC=C4)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3C(=O)OC4=CC=CC=C4)SC1)C(=O)O

InChI

InChI=1S/C23H20N2O6S/c1-13-12-32-21-18(20(27)25(21)19(13)22(28)29)24-17(26)11-14-7-5-6-10-16(14)23(30)31-15-8-3-2-4-9-15/h2-10,18,21H,11-12H2,1H3,(H,24,26)(H,28,29)