(phenylmethyl) 8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1,3-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (phenylmethyl) 8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1,3-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzyl 8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1,3-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1,3-diazabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1,3-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1,3-diazabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzyl ester Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

C1N=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1N=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C19H17N3O4S2/c23-14(9-13-7-4-8-27-13)21-15-17(24)22-16(20-11-28-18(15)22)19(25)26-10-12-5-2-1-3-6-12/h1-8,15,18H,9-11H2,(H,21,23)