diethyl 5-azanyl-3-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(1-oxo-2H-isoquinoline-3-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[oxo-(1-oxo-2H-isoquinolin-3-yl)methoxy]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(1-oxo-2H-isoquinoline-3-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(1-keto-2H-isoquinoline-3-carbonyl)oxymethyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC(=O)C2=CC3=CC=CC=C3C(=O)N2)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)C2=CC3=CC=CC=C3C(=O)N2)C(=O)OCC)N

InChI

InChI=1S/C21H20N2O7S/c1-3-28-20(26)15-13(16(31-17(15)22)21(27)29-4-2)10-30-19(25)14-9-11-7-5-6-8-12(11)18(24)23-14/h5-9H,3-4,10,22H2,1-2H3,(H,23,24)