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4-[1-oxidanylidene-1-(propylamino)propan-2-yl]sulfanylbenzoic acid

4-[1-oxidanylidene-1-(propylamino)propan-2-yl]sulfanylbenzoic acid

Systemtic Name:4-[1-oxidanylidene-1-(propylamino)propan-2-yl]sulfanylbenzoic acid
Openeye Name:4-[1-methyl-2-oxo-2-(propylamino)ethyl]sulfanylbenzoic acid
CAS Name:4-[[1-oxo-1-(propylamino)propan-2-yl]thio]benzoic acid
IUPAC Name:4-[1-oxo-1-(propylamino)propan-2-yl]sulfanylbenzoic acid
Traditional Name:4-[[2-keto-1-methyl-2-(propylamino)ethyl]thio]benzoic acid
Formula: C13H17NO3S
MolecularWeight: 267.34398
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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=CC=C(C=C1)C(=O)O


Isomeric SMILES

CCCNC(=O)C(C)SC1=CC=C(C=C1)C(=O)O


InChI

InChI=1S/C13H17NO3S/c1-3-8-14-12(15)9(2)18-11-6-4-10(5-7-11)13(16)17/h4-7,9H,3,8H2,1-2H3,(H,14,15)(H,16,17)


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