1-[(3-methoxy-4-oxidanyl-phenyl)methylsulfanylcarbamoylamino]propyl 2-methylpropanoate

Systemtic Name: 1-[(3-methoxy-4-oxidanyl-phenyl)methylsulfanylcarbamoylamino]propyl 2-methylpropanoate Openeye Name: 1-[(4-hydroxy-3-methoxy-phenyl)methylsulfanylcarbamoylamino]propyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid 1-[[[[(4-hydroxy-3-methoxyphenyl)methylthio]amino]-oxomethyl]amino]propyl ester IUPAC Name: 1-[(4-hydroxy-3-methoxyphenyl)methylsulfanylcarbamoylamino]propyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid 1-[(vanillylthio)carbamoylamino]propyl ester Formula: C16H24N2O5S MolecularWeight: 356.43716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)NSCC1=CC(=C(C=C1)O)OC)OC(=O)C(C)C

Isomeric SMILES

CCC(NC(=O)NSCC1=CC(=C(C=C1)O)OC)OC(=O)C(C)C

InChI

InChI=1S/C16H24N2O5S/c1-5-14(23-15(20)10(2)3)17-16(21)18-24-9-11-6-7-12(19)13(8-11)22-4/h6-8,10,14,19H,5,9H2,1-4H3,(H2,17,18,21)