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

Systemtic Name: 2-[(2-chloranyl-6-methyl-phenyl)-methanethioyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-(2-chloro-N-methanethioyl-6-methyl-anilino)-3-phenyl-propanoic acid CAS Name: 2-(2-chloro-N-methanethioyl-6-methylanilino)-3-phenylpropanoic acid IUPAC Name: 2-(2-chloro-N-methanethioyl-6-methylanilino)-3-phenylpropanoic acid Traditional Name: 2-(2-chloro-6-methyl-N-thioformyl-anilino)-3-phenyl-propionic acid Formula: C17H16ClNO2S MolecularWeight: 333.83244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)N(C=S)C(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)N(C=S)C(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H16ClNO2S/c1-12-6-5-9-14(18)16(12)19(11-22)15(17(20)21)10-13-7-3-2-4-8-13/h2-9,11,15H,10H2,1H3,(H,20,21)