methyl 2-methoxy-5-[[(4-methoxy-4-oxidanylidene-butyl)carbamothioylamino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[(4-methoxy-4-oxidanylidene-butyl)carbamothioylamino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[(4-methoxy-4-oxo-butyl)carbamothioylamino]methyl]benzoate CAS Name: 2-methoxy-5-[[[[(4-methoxy-4-oxobutyl)amino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[(4-methoxy-4-oxobutyl)carbamothioylamino]methyl]benzoate Traditional Name: 5-[[(4-keto-4-methoxy-butyl)thiocarbamoylamino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5S/c1-21-13-7-6-11(9-12(13)15(20)23-3)10-18-16(24)17-8-4-5-14(19)22-2/h6-7,9H,4-5,8,10H2,1-3H3,(H2,17,18,24)