2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(cyclohexylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]benzoic acid Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H19NO3S/c17-14(16-11-6-2-1-3-7-11)10-20-13-9-5-4-8-12(13)15(18)19/h4-5,8-9,11H,1-3,6-7,10H2,(H,16,17)(H,18,19)