(diphenylmethyl) 7-(2-cyanoethanoylamino)-8-oxidanylidene-3-prop-2-enoyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-(2-cyanoethanoylamino)-8-oxidanylidene-3-prop-2-enoyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-[(2-cyanoacetyl)amino]-8-oxo-3-prop-2-enoyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[(2-cyano-1-oxoethyl)amino]-8-oxo-3-(1-oxoprop-2-enyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-[(2-cyanoacetyl)amino]-8-oxo-3-prop-2-enoyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-acryloyl-7-[(2-cyanoacetyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C26H21N3O5S MolecularWeight: 487.52704

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)C1=C(N2C(C(C2=O)NC(=O)CC#N)SC1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C=CC(=O)C1=C(N2C(C(C2=O)NC(=O)CC#N)SC1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H21N3O5S/c1-2-19(30)18-15-35-25-21(28-20(31)13-14-27)24(32)29(25)22(18)26(33)34-23(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h2-12,21,23,25H,1,13,15H2,(H,28,31)