methyl 4-(4-azanylbutylsulfanyl)-4-methanoyl-5-methyl-hexanoate

Systemtic Name: methyl 4-(4-azanylbutylsulfanyl)-4-methanoyl-5-methyl-hexanoate Openeye Name: methyl 4-(4-aminobutylsulfanyl)-4-formyl-5-methyl-hexanoate CAS Name: 4-(4-aminobutylthio)-4-formyl-5-methylhexanoic acid methyl ester IUPAC Name: methyl 4-(4-aminobutylsulfanyl)-4-formyl-5-methylhexanoate Traditional Name: 4-(4-aminobutylthio)-4-formyl-5-methyl-hexanoic acid methyl ester Formula: C13H25NO3S MolecularWeight: 275.4075

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(=O)OC)(C=O)SCCCCN

Isomeric SMILES

CC(C)C(CCC(=O)OC)(C=O)SCCCCN

InChI

InChI=1S/C13H25NO3S/c1-11(2)13(10-15,7-6-12(16)17-3)18-9-5-4-8-14/h10-11H,4-9,14H2,1-3H3