8-oxidanylidene-3-(4-oxidanylidenethiochromen-2-yl)sulfanyl-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-3-(4-oxidanylidenethiochromen-2-yl)sulfanyl-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-3-(4-oxothiochromen-2-yl)sulfanyl-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-3-[(4-oxo-1-benzothiopyran-2-yl)thio]-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-3-(4-oxothiochromen-2-yl)sulfanyl-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-[(4-ketothiochromen-2-yl)thio]-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H16N2O5S4 MolecularWeight: 516.63284

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)O)SC4=CC(=O)C5=CC=CC=C5S4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)O)SC4=CC(=O)C5=CC=CC=C5S4

InChI

InChI=1S/C22H16N2O5S4/c25-13-9-17(32-14-6-2-1-5-12(13)14)33-15-10-31-21-18(20(27)24(21)19(15)22(28)29)23-16(26)8-11-4-3-7-30-11/h1-7,9,18,21H,8,10H2,(H,23,26)(H,28,29)