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

Systemtic Name: 8-oxidanylidene-3-(phenylsulfanylmethyl)-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-3-(phenylsulfanylmethyl)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-3-[(phenylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-3-(phenylsulfanylmethyl)-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-[(phenylthio)methyl]-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H18N2O4S3 MolecularWeight: 446.56292

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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)CSC4=CC=CC=C4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)O)CSC4=CC=CC=C4

InChI

InChI=1S/C20H18N2O4S3/c23-15(9-14-7-4-8-27-14)21-16-18(24)22-17(20(25)26)12(11-29-19(16)22)10-28-13-5-2-1-3-6-13/h1-8,16,19H,9-11H2,(H,21,23)(H,25,26)