2-(ethylsulfanylcarbothioylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(ethylsulfanylcarbothioylamino)-3-phenyl-propanoic acid Openeye Name: 2-(ethylsulfanylcarbothioylamino)-3-phenyl-propanoic acid CAS Name: 2-[[(ethylthio)-sulfanylidenemethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-(ethylsulfanylcarbothioylamino)-3-phenylpropanoic acid Traditional Name: 2-[(ethylthio)carbothioylamino]-3-phenyl-propionic acid Formula: C12H15NO2S2 MolecularWeight: 269.383

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=S)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCSC(=S)NC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C12H15NO2S2/c1-2-17-12(16)13-10(11(14)15)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,13,16)(H,14,15)