methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(8-methoxy-4-methyl-quinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(8-methoxy-4-methyl-quinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(8-methoxy-4-methyl-2-quinolyl)sulfanyl]propanoylamino]thiophene-3-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-[(8-methoxy-4-methyl-2-quinolinyl)thio]-1-oxopropyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(8-methoxy-4-methylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(8-methoxy-4-methyl-2-quinolyl)thio]propanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C28H26N2O6S2 MolecularWeight: 550.64584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OC)SCCC(=O)NC3=C(C(=CS3)C4=CC5=C(C=C4)OCCO5)C(=O)OC

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OC)SCCC(=O)NC3=C(C(=CS3)C4=CC5=C(C=C4)OCCO5)C(=O)OC

InChI

InChI=1S/C28H26N2O6S2/c1-16-13-24(30-26-18(16)5-4-6-21(26)33-2)37-12-9-23(31)29-27-25(28(32)34-3)19(15-38-27)17-7-8-20-22(14-17)36-11-10-35-20/h4-8,13-15H,9-12H2,1-3H3,(H,29,31)