methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-quinolin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-quinolin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(2-quinolylsulfanyl)propanoylamino]thiophene-3-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-oxo-3-(2-quinolinylthio)propyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-quinolin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(2-quinolylthio)propanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C26H22N2O5S2 MolecularWeight: 506.59328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC3=C(C=C2)OCCO3)NC(=O)CCSC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC3=C(C=C2)OCCO3)NC(=O)CCSC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H22N2O5S2/c1-31-26(30)24-18(17-6-8-20-21(14-17)33-12-11-32-20)15-35-25(24)28-22(29)10-13-34-23-9-7-16-4-2-3-5-19(16)27-23/h2-9,14-15H,10-13H2,1H3,(H,28,29)