1-[2-(thiophen-2-ylmethylsulfanyl)ethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[2-(thiophen-2-ylmethylsulfanyl)ethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[2-(2-thienylmethylsulfanyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[1-oxo-2-(thiophen-2-ylmethylthio)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[2-(thiophen-2-ylmethylsulfanyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[2-(2-thenylthio)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C17H17NO3S2 MolecularWeight: 347.45178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2N(C1)C(=O)CSCC3=CC=CS3)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2N(C1)C(=O)CSCC3=CC=CS3)C(=O)O

InChI

InChI=1S/C17H17NO3S2/c19-16(11-22-10-12-4-3-9-23-12)18-8-2-6-13-14(17(20)21)5-1-7-15(13)18/h1,3-5,7,9H,2,6,8,10-11H2,(H,20,21)