tert-butyl 3-ethylsulfanylcarbonyl-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Systemtic Name: tert-butyl 3-ethylsulfanylcarbonyl-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: tert-butyl 3-ethylsulfanylcarbonyl-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 3-[(ethylthio)-oxomethyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-ethylsulfanylcarbonyl-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 3-(ethylthio)carbonyl-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid tert-butyl ester Formula: C20H24N2O5S3 MolecularWeight: 468.60996

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C1=CSC2C(C(=O)N2C1C(=O)OC(C)(C)C)NC(=O)CC3=CC=CS3

Isomeric SMILES

CCSC(=O)C1=CSC2C(C(=O)N2C1C(=O)OC(C)(C)C)NC(=O)CC3=CC=CS3

InChI

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