4-[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(1,2-dimethylpropylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-(1,2-dimethylpropylamino)-2-keto-ethyl]thio]benzoic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)CSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)C(C)NC(=O)CSC1=CC=C(C=C1)C(=O)O

InChI

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