3-(aminocarbonyloxymethyl)-6-methylsulfanyl-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(aminocarbonyloxymethyl)-6-methylsulfanyl-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(carbamoyloxymethyl)-6-methylsulfanyl-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(carbamoyloxymethyl)-6-(methylthio)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(carbamoyloxymethyl)-6-methylsulfanyl-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(carbamoyloxymethyl)-8-keto-6-(methylthio)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H17N3O6S3 MolecularWeight: 443.51768

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Descriptors Computed from Structure

Canonical SMILES:

CSC12C(C(=O)N1C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CC3=CC=CS3

Isomeric SMILES

CSC12C(C(=O)N1C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CC3=CC=CS3

InChI

InChI=1S/C16H17N3O6S3/c1-26-16-12(18-10(20)5-9-3-2-4-27-9)13(21)19(16)11(14(22)23)8(7-28-16)6-25-15(17)24/h2-4,12H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,22,23)