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

Systemtic Name: methyl 2-[(2-ethyl-6-methyl-phenyl)-methanethioyl-amino]-3-phenyl-propanoate Openeye Name: methyl 2-(2-ethyl-N-methanethioyl-6-methyl-anilino)-3-phenyl-propanoate CAS Name: 2-(2-ethyl-N-methanethioyl-6-methylanilino)-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-(2-ethyl-N-methanethioyl-6-methylanilino)-3-phenylpropanoate Traditional Name: 2-(2-ethyl-6-methyl-N-thioformyl-anilino)-3-phenyl-propionic acid methyl ester Formula: C20H23NO2S MolecularWeight: 341.46712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO2S/c1-4-17-12-8-9-15(2)19(17)21(14-24)18(20(22)23-3)13-16-10-6-5-7-11-16/h5-12,14,18H,4,13H2,1-3H3