2-[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[(1-cyanocycloheptyl)amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[(1-cyanocycloheptyl)amino]-2-keto-ethyl]thio]acetic acid Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)CSCC(=O)O

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)CSCC(=O)O

InChI

InChI=1S/C12H18N2O3S/c13-9-12(5-3-1-2-4-6-12)14-10(15)7-18-8-11(16)17/h1-8H2,(H,14,15)(H,16,17)