2-methyl-3-(pentylamino)-3-sulfanylidene-propanoic acid

Systemtic Name: 2-methyl-3-(pentylamino)-3-sulfanylidene-propanoic acid Openeye Name: 2-methyl-3-(pentylamino)-3-thioxo-propanoic acid CAS Name: 2-methyl-3-(pentylamino)-3-sulfanylidenepropanoic acid IUPAC Name: 2-methyl-3-(pentylamino)-3-sulfanylidenepropanoic acid Traditional Name: 3-(amylamino)-2-methyl-3-thioxo-propionic acid Formula: C9H17NO2S MolecularWeight: 203.30178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)C(C)C(=O)O

Isomeric SMILES

CCCCCNC(=S)C(C)C(=O)O

InChI

InChI=1S/C9H17NO2S/c1-3-4-5-6-10-8(13)7(2)9(11)12/h7H,3-6H2,1-2H3,(H,10,13)(H,11,12)