2-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl]thio]benzoic acid Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H18N2O3S/c17-11-16(8-4-1-5-9-16)18-14(19)10-22-13-7-3-2-6-12(13)15(20)21/h2-3,6-7H,1,4-5,8-10H2,(H,18,19)(H,20,21)