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

Systemtic Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanylbutanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(8-methoxy-4-methyl-2-quinolyl)sulfanyl]butanoylamino]thiophene-3-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-[(8-methoxy-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-(8-methoxy-4-methylquinolin-2-yl)sulfanylbutanoylamino]thiophene-3-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(8-methoxy-4-methyl-2-quinolyl)thio]butanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C29H28N2O6S2 MolecularWeight: 564.67242

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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=C(C=CC=C5OC)C(=C4)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC3=C(C=C2)OCCO3)C(=O)OC)SC4=NC5=C(C=CC=C5OC)C(=C4)C

InChI

InChI=1S/C29H28N2O6S2/c1-5-23(39-24-13-16(2)18-7-6-8-21(34-3)26(18)30-24)27(32)31-28-25(29(33)35-4)19(15-38-28)17-9-10-20-22(14-17)37-12-11-36-20/h6-10,13-15,23H,5,11-12H2,1-4H3,(H,31,32)