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

Systemtic Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(4-methyl-2-quinolyl)sulfanyl]butanoylamino]thiophene-3-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxobutyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]thiophene-3-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(4-methyl-2-quinolyl)thio]butanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C28H26N2O5S2 MolecularWeight: 534.64644

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C28H26N2O5S2/c1-4-23(37-24-13-16(2)18-7-5-6-8-20(18)29-24)26(31)30-27-25(28(32)33-3)19(15-36-27)17-9-10-21-22(14-17)35-12-11-34-21/h5-10,13-15,23H,4,11-12H2,1-3H3,(H,30,31)