3-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl]thio]propionic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-10(2)12-6-4-5-11(3)15(12)16-13(17)9-20-8-7-14(18)19/h4-6,10H,7-9H2,1-3H3,(H,16,17)(H,18,19)