diethyl 2-(2-acetamido-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophen-6-yl)propanedioate

Systemtic Name: diethyl 2-(2-acetamido-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophen-6-yl)propanedioate Openeye Name: diethyl 2-(2-acetamido-7-oxo-5,6-dihydro-4H-benzothiophen-6-yl)propanedioate CAS Name: 2-(2-acetamido-7-oxo-5,6-dihydro-4H-1-benzothiophen-6-yl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-acetamido-7-oxo-5,6-dihydro-4H-1-benzothiophen-6-yl)propanedioate Traditional Name: 2-(2-acetamido-7-keto-5,6-dihydro-4H-benzothiophen-6-yl)malonic acid diethyl ester Formula: C17H21NO6S MolecularWeight: 367.41674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CCC2=C(C1=O)SC(=C2)NC(=O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1CCC2=C(C1=O)SC(=C2)NC(=O)C)C(=O)OCC

InChI

InChI=1S/C17H21NO6S/c1-4-23-16(21)13(17(22)24-5-2)11-7-6-10-8-12(18-9(3)19)25-15(10)14(11)20/h8,11,13H,4-7H2,1-3H3,(H,18,19)