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

Systemtic Name: 4-[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(3-methoxypropylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(3-methoxypropylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(3-methoxypropylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-keto-2-(3-methoxypropylamino)ethyl]thio]benzoic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c1-18-8-2-7-14-12(15)9-19-11-5-3-10(4-6-11)13(16)17/h3-6H,2,7-9H2,1H3,(H,14,15)(H,16,17)