4-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl]thio]benzoic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H17NO3S/c1-3-9(2)14-12(15)8-18-11-6-4-10(5-7-11)13(16)17/h4-7,9H,3,8H2,1-2H3,(H,14,15)(H,16,17)/t9-/m0/s1