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

Systemtic Name: [2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methyl-2-thienyl]amino]-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic 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] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-[(3-carbomethoxy-5-methyl-4-piperonyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C23H19ClN2O7S MolecularWeight: 502.92416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)COC(=O)C2=C(N=CC=C2)Cl)C(=O)OC)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)COC(=O)C2=C(N=CC=C2)Cl)C(=O)OC)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H19ClN2O7S/c1-12-15(8-13-5-6-16-17(9-13)33-11-32-16)19(23(29)30-2)21(34-12)26-18(27)10-31-22(28)14-4-3-7-25-20(14)24/h3-7,9H,8,10-11H2,1-2H3,(H,26,27)