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

Systemtic Name: 2-[(2S)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[(1S)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 2-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[(1S)-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=CC=C2C(=O)O

Isomeric SMILES

C[C@@H](C(=O)NC1CCCC1)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H19NO3S/c1-10(14(17)16-11-6-2-3-7-11)20-13-9-5-4-8-12(13)15(18)19/h4-5,8-11H,2-3,6-7H2,1H3,(H,16,17)(H,18,19)/t10-/m0/s1