[2-[[5-(1,3-benzodioxol-5-ylmethyl)-3-ethoxycarbonyl-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: [2-[[5-(1,3-benzodioxol-5-ylmethyl)-3-ethoxycarbonyl-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [2-[[5-(1,3-benzodioxol-5-ylmethyl)-3-ethoxycarbonyl-4-methyl-2-thienyl]amino]-2-oxo-ethyl] 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid [2-[[5-(1,3-benzodioxol-5-ylmethyl)-3-ethoxycarbonyl-4-methyl-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-(1,3-benzodioxol-5-ylmethyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [2-[(3-carbethoxy-4-methyl-5-piperonyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C28H24N2O8S MolecularWeight: 548.56376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)COC(=O)C4=CC(=O)NC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)COC(=O)C4=CC(=O)NC5=CC=CC=C54

InChI

InChI=1S/C28H24N2O8S/c1-3-35-28(34)25-15(2)22(11-16-8-9-20-21(10-16)38-14-37-20)39-26(25)30-24(32)13-36-27(33)18-12-23(31)29-19-7-5-4-6-17(18)19/h4-10,12H,3,11,13-14H2,1-2H3,(H,29,31)(H,30,32)