diethyl 5-azanyl-3-[(1-phenylcyclopropyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[(1-phenylcyclopropyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(1-phenylcyclopropanecarbonyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[oxo-(1-phenylcyclopropyl)methoxy]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(1-phenylcyclopropanecarbonyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(1-phenylcyclopropanecarbonyl)oxymethyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC(=O)C2(CC2)C3=CC=CC=C3)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)C2(CC2)C3=CC=CC=C3)C(=O)OCC)N

InChI

InChI=1S/C21H23NO6S/c1-3-26-18(23)15-14(16(29-17(15)22)19(24)27-4-2)12-28-20(25)21(10-11-21)13-8-6-5-7-9-13/h5-9H,3-4,10-12,22H2,1-2H3