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

Systemtic Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(4-methyl-2-quinolyl)sulfanyl]propanoylamino]thiophene-3-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-[(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-[2-(4-methylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(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)SC(C)C(=O)NC3=C(C(=CS3)C4=CC5=C(C=C4)OCCO5)C(=O)OC

Isomeric SMILES

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

InChI

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