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

Systemtic Name: [2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidenechromene-2-carboxylate Openeye Name: [2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methyl-2-thienyl]amino]-2-oxo-ethyl] 4-oxochromene-2-carboxylate CAS Name: 4-oxo-1-benzopyran-2-carboxylic acid [2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methyl-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methylthiophen-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate Traditional Name: 4-ketochromene-2-carboxylic acid [2-[(3-carbomethoxy-5-methyl-4-piperonyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C27H21NO9S MolecularWeight: 535.52194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2)C(=O)OC)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3O2)C(=O)OC)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H21NO9S/c1-14-17(9-15-7-8-20-21(10-15)36-13-35-20)24(27(32)33-2)25(38-14)28-23(30)12-34-26(31)22-11-18(29)16-5-3-4-6-19(16)37-22/h3-8,10-11H,9,12-13H2,1-2H3,(H,28,30)