dimethyl 5-azanyl-3-[[1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindol-5-yl]carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindol-5-yl]carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-[(2-allyl-1,3-dioxo-isoindoline-5-carbonyl)oxymethyl]-5-amino-thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(1,3-dioxo-2-prop-2-enyl-5-isoindolyl)-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(1,3-dioxo-2-prop-2-enylisoindole-5-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 3-[(2-allyl-1,3-diketo-isoindoline-5-carbonyl)oxymethyl]-5-amino-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H18N2O8S MolecularWeight: 458.44122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C)C(=O)OC)N

InChI

InChI=1S/C21H18N2O8S/c1-4-7-23-17(24)11-6-5-10(8-12(11)18(23)25)19(26)31-9-13-14(20(27)29-2)16(22)32-15(13)21(28)30-3/h4-6,8H,1,7,9,22H2,2-3H3