dimethyl 5-azanyl-3-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoyl]oxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoyl]oxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dioxobutoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-butanoyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H21NO9S MolecularWeight: 463.45774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3)C(=O)OC)N

InChI

InChI=1S/C21H21NO9S/c1-27-20(25)17-12(18(21(26)28-2)32-19(17)22)10-31-16(24)6-4-13(23)11-3-5-14-15(9-11)30-8-7-29-14/h3,5,9H,4,6-8,10,22H2,1-2H3