2-[1-(3-methoxypropylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[1-(3-methoxypropylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[2-(3-methoxypropylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 2-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(3-methoxypropylamino)-1-methyl-ethyl]thio]benzoic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCOC)SC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C(=O)NCCCOC)SC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C14H19NO4S/c1-10(13(16)15-8-5-9-19-2)20-12-7-4-3-6-11(12)14(17)18/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,16)(H,17,18)