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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C(=CS1)C2=CC3=C(C=C2)OCCO3)C(=O)OC)SC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C(=O)NC1=C(C(=CS1)C2=CC3=C(C=C2)OCCO3)C(=O)OC)SC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H22N2O5S2/c1-15(35-22-10-8-16-5-3-4-6-19(16)27-22)24(29)28-25-23(26(30)31-2)18(14-34-25)17-7-9-20-21(13-17)33-12-11-32-20/h3-10,13-15H,11-12H2,1-2H3,(H,28,29)