3-[methyl-(3-propan-2-ylphenyl)amino]-3-oxidanylidene-2-sulfanyl-propanoic acid

Systemtic Name: 3-[methyl-(3-propan-2-ylphenyl)amino]-3-oxidanylidene-2-sulfanyl-propanoic acid Openeye Name: 3-(3-isopropyl-N-methyl-anilino)-3-oxo-2-sulfanyl-propanoic acid CAS Name: 2-mercapto-3-(N-methyl-3-propan-2-ylanilino)-3-oxopropanoic acid IUPAC Name: 3-(N-methyl-3-propan-2-ylanilino)-3-oxo-2-sulfanylpropanoic acid Traditional Name: 3-(3-isopropyl-N-methyl-anilino)-3-keto-2-mercapto-propionic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-8(2)9-5-4-6-10(7-9)14(3)12(15)11(18)13(16)17/h4-8,11,18H,1-3H3,(H,16,17)