1-[2-(cyanomethylsulfanyl)ethanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid

Systemtic Name: 1-[2-(cyanomethylsulfanyl)ethanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid Openeye Name: 1-[2-(cyanomethylsulfanyl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid CAS Name: 1-[2-(cyanomethylthio)-1-oxoethyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid IUPAC Name: 1-[2-(cyanomethylsulfanyl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid Traditional Name: 1-[2-(cyanomethylthio)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(=O)O)N(C1)C(=O)CSCC#N

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(=O)O)N(C1)C(=O)CSCC#N

InChI

InChI=1S/C14H14N2O3S/c15-5-7-20-9-13(17)16-6-1-2-10-8-11(14(18)19)3-4-12(10)16/h3-4,8H,1-2,6-7,9H2,(H,18,19)