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

Systemtic Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(4-methyl-2-quinolyl)sulfanyl]propanoylamino]thiophene-3-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-[(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-(4-methylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(4-methyl-2-quinolyl)thio]propanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C27H24N2O5S2 MolecularWeight: 520.61986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC3=C(C(=CS3)C4=CC5=C(C=C4)OCCO5)C(=O)OC

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC3=C(C(=CS3)C4=CC5=C(C=C4)OCCO5)C(=O)OC

InChI

InChI=1S/C27H24N2O5S2/c1-16-13-24(28-20-6-4-3-5-18(16)20)35-12-9-23(30)29-26-25(27(31)32-2)19(15-36-26)17-7-8-21-22(14-17)34-11-10-33-21/h3-8,13-15H,9-12H2,1-2H3,(H,29,30)