2-[(2-ethyl-6-methyl-phenyl)-methanethioyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(2-ethyl-6-methyl-phenyl)-methanethioyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-(2-ethyl-N-methanethioyl-6-methyl-anilino)-3-phenyl-propanoic acid CAS Name: 2-(2-ethyl-N-methanethioyl-6-methylanilino)-3-phenylpropanoic acid IUPAC Name: 2-(2-ethyl-N-methanethioyl-6-methylanilino)-3-phenylpropanoic acid Traditional Name: 2-(2-ethyl-6-methyl-N-thioformyl-anilino)-3-phenyl-propionic acid Formula: C19H21NO2S MolecularWeight: 327.44054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N(C=S)C(CC2=CC=CC=C2)C(=O)O)C

Isomeric SMILES

CCC1=CC=CC(=C1N(C=S)C(CC2=CC=CC=C2)C(=O)O)C

InChI

InChI=1S/C19H21NO2S/c1-3-16-11-7-8-14(2)18(16)20(13-23)17(19(21)22)12-15-9-5-4-6-10-15/h4-11,13,17H,3,12H2,1-2H3,(H,21,22)