[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-cyclopentanecarboxylic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarboxylic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)C(=O)OCC(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)C(=O)OCC(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C21H20N2O5S/c22-12-14-5-10-29-19(14)23-18(24)13-28-20(25)21(6-1-2-7-21)15-3-4-16-17(11-15)27-9-8-26-16/h3-5,10-11H,1-2,6-9,13H2,(H,23,24)