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

Systemtic Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(8-methoxy-4-methyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(8-methoxy-4-methyl-2-oxo-1-quinolyl)butanoylamino]thiophene-3-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(8-methoxy-4-methyl-2-oxo-1-quinolinyl)-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-methyl-2-oxoquinolin-1-yl)butanoylamino]thiophene-3-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(2-keto-8-methoxy-4-methyl-1-quinolyl)butanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C29H28N2O7S MolecularWeight: 548.60682

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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)N4C(=O)C=C(C5=C4C(=CC=C5)OC)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC3=C(C=C2)OCCO3)C(=O)OC)N4C(=O)C=C(C5=C4C(=CC=C5)OC)C

InChI

InChI=1S/C29H28N2O7S/c1-5-20(31-24(32)13-16(2)18-7-6-8-22(35-3)26(18)31)27(33)30-28-25(29(34)36-4)19(15-39-28)17-9-10-21-23(14-17)38-12-11-37-21/h6-10,13-15,20H,5,11-12H2,1-4H3,(H,30,33)