methyl 3-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentanoate

Systemtic Name: methyl 3-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentanoate Openeye Name: methyl 3-methyl-2-[[5-(methylsulfanylmethyl)-2-furyl]methylamino]pentanoate CAS Name: 3-methyl-2-[[5-[(methylthio)methyl]-2-furanyl]methylamino]pentanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentanoate Traditional Name: 3-methyl-2-[[5-[(methylthio)methyl]-2-furyl]methylamino]valeric acid methyl ester Formula: C14H23NO3S MolecularWeight: 285.40232

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NCC1=CC=C(O1)CSC

Isomeric SMILES

CCC(C)C(C(=O)OC)NCC1=CC=C(O1)CSC

InChI

InChI=1S/C14H23NO3S/c1-5-10(2)13(14(16)17-3)15-8-11-6-7-12(18-11)9-19-4/h6-7,10,13,15H,5,8-9H2,1-4H3