methyl (2S)-4-methyl-2-(3-phenylpropylsulfanylcarbothioylamino)pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-(3-phenylpropylsulfanylcarbothioylamino)pentanoate Openeye Name: methyl (2S)-4-methyl-2-(3-phenylpropylsulfanylcarbothioylamino)pentanoate CAS Name: (2S)-4-methyl-2-[[(3-phenylpropylthio)-sulfanylidenemethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-(3-phenylpropylsulfanylcarbothioylamino)pentanoate Traditional Name: (2S)-4-methyl-2-[(3-phenylpropylthio)carbothioylamino]valeric acid methyl ester Formula: C17H25NO2S2 MolecularWeight: 339.5159

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=S)SCCCC1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=S)SCCCC1=CC=CC=C1

InChI

InChI=1S/C17H25NO2S2/c1-13(2)12-15(16(19)20-3)18-17(21)22-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12H2,1-3H3,(H,18,21)/t15-/m0/s1