methyl 4-methylsulfanyl-2-(thiophen-2-ylmethylcarbamoylamino)butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-(thiophen-2-ylmethylcarbamoylamino)butanoate Openeye Name: methyl 4-methylsulfanyl-2-(2-thienylmethylcarbamoylamino)butanoate CAS Name: 4-(methylthio)-2-[[oxo-(thiophen-2-ylmethylamino)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-(thiophen-2-ylmethylcarbamoylamino)butanoate Traditional Name: 4-(methylthio)-2-(2-thenylcarbamoylamino)butyric acid methyl ester Formula: C12H18N2O3S2 MolecularWeight: 302.41292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)NCC1=CC=CS1

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)NCC1=CC=CS1

InChI

InChI=1S/C12H18N2O3S2/c1-17-11(15)10(5-7-18-2)14-12(16)13-8-9-4-3-6-19-9/h3-4,6,10H,5,7-8H2,1-2H3,(H2,13,14,16)