2-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-[[(1R,2S)-2-methylcyclohexyl]amino]ethyl]thio]benzoic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-11-6-2-4-8-13(11)17-15(18)10-21-14-9-5-3-7-12(14)16(19)20/h3,5,7,9,11,13H,2,4,6,8,10H2,1H3,(H,17,18)(H,19,20)/t11-,13+/m0/s1