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

Systemtic Name: (phenylmethyl) 7-(2-cyanoethanoylamino)-4-methoxy-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzyl 7-[(2-cyanoacetyl)amino]-4-methoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[(2-cyano-1-oxoethyl)amino]-4-methoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-[(2-cyanoacetyl)amino]-4-methoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[(2-cyanoacetyl)amino]-8-keto-4-methoxy-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)CC#N)SC1OC)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)CC#N)SC1OC)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O5S/c1-11-15(18(25)27-10-12-6-4-3-5-7-12)22-16(24)14(21-13(23)8-9-20)17(22)28-19(11)26-2/h3-7,14,17,19H,8,10H2,1-2H3,(H,21,23)