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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-3-4-10(2)15-13(16)9-19-12-7-5-11(6-8-12)14(17)18/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)(H,17,18)