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

Systemtic Name: 4-[1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 4-[2-(cyclopentylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[1-(cyclopentylamino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 4-[1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 4-[[2-(cyclopentylamino)-2-keto-1-methyl-ethyl]thio]benzoic acid Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)SC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C(=O)NC1CCCC1)SC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H19NO3S/c1-10(14(17)16-12-4-2-3-5-12)20-13-8-6-11(7-9-13)15(18)19/h6-10,12H,2-5H2,1H3,(H,16,17)(H,18,19)