2-[4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butyl]sulfanylethanoic acid

Systemtic Name: 2-[4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butyl]sulfanylethanoic acid Openeye Name: 2-[4-(2,6-dimethylanilino)-4-oxo-butyl]sulfanylacetic acid CAS Name: 2-[[4-(2,6-dimethylanilino)-4-oxobutyl]thio]acetic acid IUPAC Name: 2-[4-(2,6-dimethylanilino)-4-oxobutyl]sulfanylacetic acid Traditional Name: 2-[[4-(2,6-dimethylanilino)-4-keto-butyl]thio]acetic acid Formula: C14H19NO3S MolecularWeight: 281.37056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCCSCC(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCCSCC(=O)O

InChI

InChI=1S/C14H19NO3S/c1-10-5-3-6-11(2)14(10)15-12(16)7-4-8-19-9-13(17)18/h3,5-6H,4,7-9H2,1-2H3,(H,15,16)(H,17,18)