methyl 2-[(2,6-dimethylphenyl)-(3-ethoxysulfanyl-3-oxidanylidene-propanethioyl)amino]propanoate

Systemtic Name: methyl 2-[(2,6-dimethylphenyl)-(3-ethoxysulfanyl-3-oxidanylidene-propanethioyl)amino]propanoate Openeye Name: methyl 2-(N-(3-ethoxysulfanyl-3-oxo-propanethioyl)-2,6-dimethyl-anilino)propanoate CAS Name: 2-(N-[3-(ethoxythio)-3-oxo-1-sulfanylidenepropyl]-2,6-dimethylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-(N-(3-ethoxysulfanyl-3-oxopropanethioyl)-2,6-dimethylanilino)propanoate Traditional Name: 2-(N-[3-(ethoxythio)-3-keto-propanethioyl]-2,6-dimethyl-anilino)propionic acid methyl ester Formula: C17H23NO4S2 MolecularWeight: 369.49882

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Descriptors Computed from Structure

Canonical SMILES:

CCOSC(=O)CC(=S)N(C1=C(C=CC=C1C)C)C(C)C(=O)OC

Isomeric SMILES

CCOSC(=O)CC(=S)N(C1=C(C=CC=C1C)C)C(C)C(=O)OC

InChI

InChI=1S/C17H23NO4S2/c1-6-22-24-15(19)10-14(23)18(13(4)17(20)21-5)16-11(2)8-7-9-12(16)3/h7-9,13H,6,10H2,1-5H3