3-(dimethylcarbamoyl)-8-oxidanylidene-7-(2-phenylsulfanylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(dimethylcarbamoyl)-8-oxidanylidene-7-(2-phenylsulfanylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(dimethylcarbamoyl)-8-oxo-7-[(2-phenylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[dimethylamino(oxo)methyl]-8-oxo-7-[[1-oxo-2-(phenylthio)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(dimethylcarbamoyl)-8-oxo-7-[(2-phenylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(dimethylcarbamoyl)-8-keto-7-[[2-(phenylthio)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H19N3O5S2 MolecularWeight: 421.49056

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=C(N2C(C(C2=O)NC(=O)CSC3=CC=CC=C3)SC1)C(=O)O

Isomeric SMILES

CN(C)C(=O)C1=C(N2C(C(C2=O)NC(=O)CSC3=CC=CC=C3)SC1)C(=O)O

InChI

InChI=1S/C18H19N3O5S2/c1-20(2)15(23)11-8-28-17-13(16(24)21(17)14(11)18(25)26)19-12(22)9-27-10-6-4-3-5-7-10/h3-7,13,17H,8-9H2,1-2H3,(H,19,22)(H,25,26)