methyl 4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[(3,4,5-trimethoxyphenyl)methylamino]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]butanoate Traditional Name: 4-(methylthio)-2-[(3,4,5-trimethoxybenzyl)carbamoylamino]butyric acid methyl ester Formula: C17H26N2O6S MolecularWeight: 386.46314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C17H26N2O6S/c1-22-13-8-11(9-14(23-2)15(13)24-3)10-18-17(21)19-12(6-7-26-5)16(20)25-4/h8-9,12H,6-7,10H2,1-5H3,(H2,18,19,21)