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

Systemtic Name: dimethyl 5-azanyl-3-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[4-(1,3-dioxoisoindolin-2-yl)butanoyloxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[4-(1,3-dioxoisoindol-2-yl)butanoyloxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-(4-phthalimidobutanoyloxymethyl)thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H20N2O8S MolecularWeight: 460.4571

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)OC)N

InChI

InChI=1S/C21H20N2O8S/c1-29-20(27)15-13(16(21(28)30-2)32-17(15)22)10-31-14(24)8-5-9-23-18(25)11-6-3-4-7-12(11)19(23)26/h3-4,6-7H,5,8-10,22H2,1-2H3