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

Systemtic Name: 7-methoxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-3-(1-thiophen-2-ylethenyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-3-[1-(2-thienyl)vinyl]-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-thiophen-2-ylethenyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-3-(1-thiophen-2-ylethenyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-methoxy-7-[[2-(2-thienyl)acetyl]amino]-3-[1-(2-thienyl)vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H18N2O5S3 MolecularWeight: 462.56232

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)C(=C)C3=CC=CS3)C(=O)O)NC(=O)CC4=CC=CS4

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)C(=C)C3=CC=CS3)C(=O)O)NC(=O)CC4=CC=CS4

InChI

InChI=1S/C20H18N2O5S3/c1-11(14-6-4-8-29-14)13-10-30-19-20(27-2,18(26)22(19)16(13)17(24)25)21-15(23)9-12-5-3-7-28-12/h3-8,19H,1,9-10H2,2H3,(H,21,23)(H,24,25)