[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 1-diphenylphosphorylcyclopropanecarboxylate CAS Name: 1-diphenylphosphoryl-1-cyclopropanecarboxylic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate Traditional Name: 1-diphenylphosphorylcyclopropanecarboxylic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C25H21N2O4PS MolecularWeight: 476.484001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C(=O)OCC(=O)NC2=NC3=CC=CC=C3S2)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC1(C(=O)OCC(=O)NC2=NC3=CC=CC=C3S2)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H21N2O4PS/c28-22(27-24-26-20-13-7-8-14-21(20)33-24)17-31-23(29)25(15-16-25)32(30,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14H,15-17H2,(H,26,27,28)