dimethyl 5-azanyl-3-(1,2-dihydroacenaphthylen-5-ylcarbonyloxymethyl)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-(1,2-dihydroacenaphthylen-5-ylcarbonyloxymethyl)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-(1,2-dihydroacenaphthylene-5-carbonyloxymethyl)thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[1,2-dihydroacenaphthylen-5-yl(oxo)methoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-(1,2-dihydroacenaphthylene-5-carbonyloxymethyl)thiophene-2,4-dicarboxylate Traditional Name: 3-(acenaphthene-5-carbonyloxymethyl)-5-amino-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H19NO6S MolecularWeight: 425.45436

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C2=C3C=CC=C4C3=C(CC4)C=C2)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)C2=C3C=CC=C4C3=C(CC4)C=C2)C(=O)OC)N

InChI

InChI=1S/C22H19NO6S/c1-27-21(25)17-15(18(22(26)28-2)30-19(17)23)10-29-20(24)14-9-8-12-7-6-11-4-3-5-13(14)16(11)12/h3-5,8-9H,6-7,10,23H2,1-2H3