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

Systemtic Name: 8-oxidanylidene-3-(phenylsulfanylcarbonylamino)-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-3-(phenylsulfanylcarbonylamino)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-3-[[oxo-(phenylthio)methyl]amino]-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-(phenylsulfanylcarbonylamino)-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)carbonylamino]-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H17N3O5S3 MolecularWeight: 475.56108

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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)NC(=O)SC4=CC=CC=C4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)O)NC(=O)SC4=CC=CC=C4

InChI

InChI=1S/C20H17N3O5S3/c24-14(9-12-7-4-8-29-12)22-15-17(25)23-16(19(26)27)13(10-30-18(15)23)21-20(28)31-11-5-2-1-3-6-11/h1-8,15,18H,9-10H2,(H,21,28)(H,22,24)(H,26,27)