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

Systemtic Name: 7-methoxy-8-oxidanylidene-3-(2H-pyridin-1-ylmethyl)-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Openeye Name: 7-methoxy-8-oxo-3-(2H-pyridin-1-ylmethyl)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid CAS Name: 7-methoxy-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-3-(2H-pyridin-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid IUPAC Name: 7-methoxy-8-oxo-3-(2H-pyridin-1-ylmethyl)-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Traditional Name: 8-keto-7-methoxy-3-(2H-pyridin-1-ylmethyl)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(C(=CS2)CN3CC=CC=C3)C(=O)O)NC(=O)CC4=CC=CS4

Isomeric SMILES

COC1(C2N(C1=O)C(C(=CS2)CN3CC=CC=C3)C(=O)O)NC(=O)CC4=CC=CS4

InChI

InChI=1S/C20H21N3O5S2/c1-28-20(21-15(24)10-14-6-5-9-29-14)18(27)23-16(17(25)26)13(12-30-19(20)23)11-22-7-3-2-4-8-22/h2-7,9,12,16,19H,8,10-11H2,1H3,(H,21,24)(H,25,26)