ethyl 5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-2-phenylazanyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-4-oxidanylidene-2-phenylazanyl-thiophene-3-carboxylate Openeye Name: ethyl 2-anilino-5-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-4-oxo-thiophene-3-carboxylate CAS Name: 2-anilino-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-anilino-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-4-oxothiophene-3-carboxylate Traditional Name: 2-anilino-5-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-4-keto-thiophene-3-carboxylic acid ethyl ester Formula: C21H16BrNO5S MolecularWeight: 474.32444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=CC2=CC3=C(C=C2Br)OCO3)C1=O)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=CC2=CC3=C(C=C2Br)OCO3)C1=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H16BrNO5S/c1-2-26-21(25)18-19(24)17(29-20(18)23-13-6-4-3-5-7-13)9-12-8-15-16(10-14(12)22)28-11-27-15/h3-10,23H,2,11H2,1H3