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

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate Openeye Name: [2-(3-methylsulfanylanilino)-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-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-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-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2(CCCC2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2(CCCC2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H25NO5S/c1-30-18-6-4-5-17(14-18)24-21(25)15-29-22(26)23(9-2-3-10-23)16-7-8-19-20(13-16)28-12-11-27-19/h4-8,13-14H,2-3,9-12,15H2,1H3,(H,24,25)