[2-[[5-aminocarbonyl-3-(2-methoxyethoxycarbonyl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[[5-aminocarbonyl-3-(2-methoxyethoxycarbonyl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methyl-2-thienyl]amino]-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[[5-carbamoyl-3-[2-methoxyethoxy(oxo)methyl]-4-methyl-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[[5-carbamoyl-3-(2-methoxyethoxycarbonyl)-4-methyl-2-thienyl]amino]-2-keto-ethyl] ester Formula: C20H20N2O9S MolecularWeight: 464.4458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCCOC)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCCOC)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3)C(=O)N

InChI

InChI=1S/C20H20N2O9S/c1-10-15(20(26)28-6-5-27-2)18(32-16(10)17(21)24)22-14(23)8-29-19(25)11-3-4-12-13(7-11)31-9-30-12/h3-4,7H,5-6,8-9H2,1-2H3,(H2,21,24)(H,22,23)