methyl 1-(4-phenylsulfanylbutanoylamino)cyclohexane-1-carboxylate

Systemtic Name: methyl 1-(4-phenylsulfanylbutanoylamino)cyclohexane-1-carboxylate Openeye Name: methyl 1-(4-phenylsulfanylbutanoylamino)cyclohexanecarboxylate CAS Name: 1-[[1-oxo-4-(phenylthio)butyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-phenylsulfanylbutanoylamino)cyclohexane-1-carboxylate Traditional Name: 1-[4-(phenylthio)butanoylamino]cyclohexanecarboxylic acid methyl ester Formula: C18H25NO3S MolecularWeight: 335.461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)CCCSC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)CCCSC2=CC=CC=C2

InChI

InChI=1S/C18H25NO3S/c1-22-17(21)18(12-6-3-7-13-18)19-16(20)11-8-14-23-15-9-4-2-5-10-15/h2,4-5,9-10H,3,6-8,11-14H2,1H3,(H,19,20)