3-[methyl-(4-methylphenyl)amino]-3-sulfanylidene-propanoic acid

Systemtic Name: 3-[methyl-(4-methylphenyl)amino]-3-sulfanylidene-propanoic acid Openeye Name: 3-(N,4-dimethylanilino)-3-thioxo-propanoic acid CAS Name: 3-(N,4-dimethylanilino)-3-sulfanylidenepropanoic acid IUPAC Name: 3-(N,4-dimethylanilino)-3-sulfanylidenepropanoic acid Traditional Name: 3-(N,4-dimethylanilino)-3-thioxo-propionic acid Formula: C11H13NO2S MolecularWeight: 223.29142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO2S/c1-8-3-5-9(6-4-8)12(2)10(15)7-11(13)14/h3-6H,7H2,1-2H3,(H,13,14)