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

Systemtic Name: methyl 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate Openeye Name: methyl 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylate CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylate Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid methyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCCN(C2=CC=C1)C(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)C1=C2CCCN(C2=CC=C1)C(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21NO5S/c1-25-21(24)16-4-2-6-17-15(16)5-3-9-22(17)20(23)13-28-14-7-8-18-19(12-14)27-11-10-26-18/h2,4,6-8,12H,3,5,9-11,13H2,1H3