3-[2,5-bis(chloranyl)phenyl]sulfanyl-7-[2-(4-methoxyphenyl)ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[2,5-bis(chloranyl)phenyl]sulfanyl-7-[2-(4-methoxyphenyl)ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(2,5-dichlorophenyl)sulfanyl-7-[[2-(4-methoxyphenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(2,5-dichlorophenyl)thio]-7-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(2,5-dichlorophenyl)sulfanyl-7-[[2-(4-methoxyphenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(2,5-dichlorophenyl)thio]-8-keto-7-[[2-(4-methoxyphenyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H18Cl2N2O5S2 MolecularWeight: 525.42472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NC2C3N(C2=O)C(=C(CS3)SC4=C(C=CC(=C4)Cl)Cl)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC2C3N(C2=O)C(=C(CS3)SC4=C(C=CC(=C4)Cl)Cl)C(=O)O

InChI

InChI=1S/C22H18Cl2N2O5S2/c1-31-13-5-2-11(3-6-13)8-17(27)25-18-20(28)26-19(22(29)30)16(10-32-21(18)26)33-15-9-12(23)4-7-14(15)24/h2-7,9,18,21H,8,10H2,1H3,(H,25,27)(H,29,30)