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

Systemtic Name: methyl 2-[(2,6-dimethylphenyl)-[3-(methylaminosulfanyl)-3-oxidanylidene-propanethioyl]amino]propanoate Openeye Name: methyl 2-(2,6-dimethyl-N-[3-(methylaminosulfanyl)-3-oxo-propanethioyl]anilino)propanoate CAS Name: 2-(2,6-dimethyl-N-[3-(methylaminothio)-3-oxo-1-sulfanylidenepropyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(2,6-dimethyl-N-[3-(methylaminosulfanyl)-3-oxopropanethioyl]anilino)propanoate Traditional Name: 2-(N-[3-keto-3-(methylaminothio)propanethioyl]-2,6-dimethyl-anilino)propionic acid methyl ester Formula: C16H22N2O3S2 MolecularWeight: 354.48748

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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)SNC

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3S2/c1-10-7-6-8-11(2)15(10)18(12(3)16(20)21-5)13(22)9-14(19)23-17-4/h6-8,12,17H,9H2,1-5H3