3-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(3,4-dimethylanilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(3,4-dimethylanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(3,4-dimethylanilino)-2-keto-ethyl]thio]propionic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSCCC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSCCC(=O)O)C

InChI

InChI=1S/C13H17NO3S/c1-9-3-4-11(7-10(9)2)14-12(15)8-18-6-5-13(16)17/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)(H,16,17)