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

Systemtic Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-quinolin-2-ylsulfanylbutanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(2-quinolylsulfanyl)butanoylamino]thiophene-3-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-oxo-2-(2-quinolinylthio)butyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-quinolin-2-ylsulfanylbutanoylamino)thiophene-3-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(2-quinolylthio)butanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C27H24N2O5S2 MolecularWeight: 520.61986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O5S2/c1-3-22(36-23-11-9-16-6-4-5-7-19(16)28-23)25(30)29-26-24(27(31)32-2)18(15-35-26)17-8-10-20-21(14-17)34-13-12-33-20/h4-11,14-15,22H,3,12-13H2,1-2H3,(H,29,30)