3-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: 3-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: 3-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]thio]propanoate IUPAC Name: 3-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]thio]propionate Formula: C14H18NO3S- MolecularWeight: 280.36262

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSCCC(=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSCCC(=O)[O-])C

InChI

InChI=1S/C14H19NO3S/c1-3-11-6-4-5-10(2)14(11)15-12(16)9-19-8-7-13(17)18/h4-6H,3,7-9H2,1-2H3,(H,15,16)(H,17,18)/p-1