4-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 4-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 4-[2-(isobutylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 4-[[2-(2-methylpropylamino)-2-oxoethyl]thio]benzoate IUPAC Name: 4-[2-(2-methylpropylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 4-[[2-(isobutylamino)-2-keto-ethyl]thio]benzoate Formula: C13H16NO3S- MolecularWeight: 266.33604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CSC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC(C)CNC(=O)CSC1=CC=C(C=C1)C(=O)[O-]

InChI

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