2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(5-ethyl-2-thienyl)methylcarbamoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[(5-ethyl-2-thiophenyl)methylamino]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(5-ethyl-2-thienyl)methylcarbamoylamino]-4-(methylthio)butyric acid Formula: C13H20N2O3S2 MolecularWeight: 316.4395

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)CNC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)CNC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C13H20N2O3S2/c1-3-9-4-5-10(20-9)8-14-13(18)15-11(12(16)17)6-7-19-2/h4-5,11H,3,6-8H2,1-2H3,(H,16,17)(H2,14,15,18)