diethyl 5-azanyl-3-[(4-propan-2-ylphenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[(4-propan-2-ylphenyl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(4-isopropylbenzoyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[oxo-(4-propan-2-ylphenyl)methoxy]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(4-propan-2-ylbenzoyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-(cumoyloxymethyl)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6S/c1-5-26-20(24)16-15(17(29-18(16)22)21(25)27-6-2)11-28-19(23)14-9-7-13(8-10-14)12(3)4/h7-10,12H,5-6,11,22H2,1-4H3