dimethyl 5-azanyl-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H17NO8S MolecularWeight: 407.39448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C2COC3=CC=CC=C3O2)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)[C@H]2COC3=CC=CC=C3O2)C(=O)OC)N

InChI

InChI=1S/C18H17NO8S/c1-23-17(21)13-9(14(18(22)24-2)28-15(13)19)7-26-16(20)12-8-25-10-5-3-4-6-11(10)27-12/h3-6,12H,7-8,19H2,1-2H3/t12-/m1/s1