methyl 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]cyclohexanecarboxylate CAS Name: 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C18H23NO5S MolecularWeight: 365.44392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H23NO5S/c1-22-17(21)18(7-3-2-4-8-18)19-16(20)12-25-13-5-6-14-15(11-13)24-10-9-23-14/h5-6,11H,2-4,7-10,12H2,1H3,(H,19,20)