[2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 1-oxidanylcyclohexane-1-carboxylate

Systemtic Name: [2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 1-oxidanylcyclohexane-1-carboxylate Openeye Name: [2-[2,3-dihydro-1,4-benzodioxin-6-yl(2-thienylmethyl)amino]-2-oxo-ethyl] 1-hydroxycyclohexanecarboxylate CAS Name: 1-hydroxy-1-cyclohexanecarboxylic acid [2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate Traditional Name: 1-hydroxycyclohexanecarboxylic acid [2-[2,3-dihydro-1,4-benzodioxin-6-yl(2-thenyl)amino]-2-keto-ethyl] ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)OCC(=O)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4)O

Isomeric SMILES

C1CCC(CC1)(C(=O)OCC(=O)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4)O

InChI

InChI=1S/C22H25NO6S/c24-20(15-29-21(25)22(26)8-2-1-3-9-22)23(14-17-5-4-12-30-17)16-6-7-18-19(13-16)28-11-10-27-18/h4-7,12-13,26H,1-3,8-11,14-15H2