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

Systemtic Name: 3-hexylsulfanylcarbonyl-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-hexylsulfanylcarbonyl-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(hexylthio)-oxomethyl]-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-hexylsulfanylcarbonyl-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(hexylthio)carbonyl-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H24N2O5S3 MolecularWeight: 468.60996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(=O)C1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O

Isomeric SMILES

CCCCCCSC(=O)C1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O

InChI

InChI=1S/C20H24N2O5S3/c1-2-3-4-5-8-29-20(27)13-11-30-18-15(17(24)22(18)16(13)19(25)26)21-14(23)10-12-7-6-9-28-12/h6-7,9,15,18H,2-5,8,10-11H2,1H3,(H,21,23)(H,25,26)