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

Systemtic Name: [2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methyl-2-thienyl]amino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-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-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[(3-carbomethoxy-5-methyl-4-piperonyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C24H22N2O7S2 MolecularWeight: 514.57068

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H22N2O7S2/c1-13-16(9-14-6-7-17-18(10-14)33-12-32-17)20(24(29)30-2)22(35-13)26-19(27)11-31-23(28)15-5-4-8-25-21(15)34-3/h4-8,10H,9,11-12H2,1-3H3,(H,26,27)