methyl 2-methoxy-5-[[(6-methoxy-6-oxidanylidene-hexyl)carbamothioylamino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[(6-methoxy-6-oxidanylidene-hexyl)carbamothioylamino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[(6-methoxy-6-oxo-hexyl)carbamothioylamino]methyl]benzoate CAS Name: 2-methoxy-5-[[[[(6-methoxy-6-oxohexyl)amino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[(6-methoxy-6-oxohexyl)carbamothioylamino]methyl]benzoate Traditional Name: 5-[[(6-keto-6-methoxy-hexyl)thiocarbamoylamino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=S)NCCCCCC(=O)OC)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=S)NCCCCCC(=O)OC)C(=O)OC

InChI

InChI=1S/C18H26N2O5S/c1-23-15-9-8-13(11-14(15)17(22)25-3)12-20-18(26)19-10-6-4-5-7-16(21)24-2/h8-9,11H,4-7,10,12H2,1-3H3,(H2,19,20,26)