methyl 2-[(2,6-dimethylphenyl)-(3-oxidanylidenebutanethioyl)amino]propanoate

Systemtic Name: methyl 2-[(2,6-dimethylphenyl)-(3-oxidanylidenebutanethioyl)amino]propanoate Openeye Name: methyl 2-[2,6-dimethyl-N-(3-oxobutanethioyl)anilino]propanoate CAS Name: 2-(2,6-dimethyl-N-(3-oxo-1-sulfanylidenebutyl)anilino)propanoic acid methyl ester IUPAC Name: methyl 2-[2,6-dimethyl-N-(3-oxobutanethioyl)anilino]propanoate Traditional Name: 2-[N-(3-ketobutanethioyl)-2,6-dimethyl-anilino]propionic acid methyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=S)CC(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=S)CC(=O)C

InChI

InChI=1S/C16H21NO3S/c1-10-7-6-8-11(2)15(10)17(13(4)16(19)20-5)14(21)9-12(3)18/h6-8,13H,9H2,1-5H3