7-methoxy-8-oxidanylidene-3-(1-pyridin-4-ylethenyl)-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-methoxy-8-oxidanylidene-3-(1-pyridin-4-ylethenyl)-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-methoxy-8-oxo-3-[1-(4-pyridyl)vinyl]-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-methoxy-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-3-(1-pyridin-4-ylethenyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-methoxy-8-oxo-3-(1-pyridin-4-ylethenyl)-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-methoxy-3-[1-(4-pyridyl)vinyl]-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)C(=C)C3=CC=NC=C3)C(=O)O)NC(=O)CC4=CC=CS4

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)C(=C)C3=CC=NC=C3)C(=O)O)NC(=O)CC4=CC=CS4

InChI

InChI=1S/C21H19N3O5S2/c1-12(13-5-7-22-8-6-13)15-11-31-20-21(29-2,19(28)24(20)17(15)18(26)27)23-16(25)10-14-4-3-9-30-14/h3-9,20H,1,10-11H2,2H3,(H,23,25)(H,26,27)