7-methoxy-8-oxidanylidene-3-(pyrazin-2-ylsulfanylmethyl)-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-(pyrazin-2-ylsulfanylmethyl)-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-(pyrazin-2-ylsulfanylmethyl)-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-[(2-pyrazinylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-methoxy-8-oxo-3-(pyrazin-2-ylsulfanylmethyl)-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-[(pyrazin-2-ylthio)methyl]-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H18N4O5S3 MolecularWeight: 478.56502

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)CSC3=NC=CN=C3)C(=O)O)NC(=O)CC4=CC=CS4

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)CSC3=NC=CN=C3)C(=O)O)NC(=O)CC4=CC=CS4

InChI

InChI=1S/C19H18N4O5S3/c1-28-19(22-13(24)7-12-3-2-6-29-12)17(27)23-15(16(25)26)11(10-31-18(19)23)9-30-14-8-20-4-5-21-14/h2-6,8,18H,7,9-10H2,1H3,(H,22,24)(H,25,26)