1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2N(C1)C(=O)CSC3=CC4=C(C=C3)OCCO4)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2N(C1)C(=O)CSC3=CC4=C(C=C3)OCCO4)C(=O)O

InChI

InChI=1S/C20H19NO5S/c22-19(12-27-13-6-7-17-18(11-13)26-10-9-25-17)21-8-2-4-14-15(20(23)24)3-1-5-16(14)21/h1,3,5-7,11H,2,4,8-10,12H2,(H,23,24)