(phenylmethyl) 4-methoxy-3-methyl-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (phenylmethyl) 4-methoxy-3-methyl-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzyl 4-methoxy-3-methyl-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 4-methoxy-3-methyl-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methoxy-3-methyl-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-4-methoxy-3-methyl-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1OC)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1OC)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O5S2/c1-13-18(21(27)29-12-14-7-4-3-5-8-14)24-19(26)17(20(24)31-22(13)28-2)23-16(25)11-15-9-6-10-30-15/h3-10,17,20,22H,11-12H2,1-2H3,(H,23,25)