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

Systemtic Name: ethyl 5-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-4-oxidanylidene-2-phenylazanyl-thiophene-3-carboxylate Openeye Name: ethyl 2-anilino-5-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methylene]-4-oxo-thiophene-3-carboxylate CAS Name: 2-anilino-5-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]methylidene]-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-anilino-5-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-oxothiophene-3-carboxylate Traditional Name: 2-anilino-5-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methylene]-4-keto-thiophene-3-carboxylic acid ethyl ester Formula: C27H24N2O5S MolecularWeight: 488.55486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=CC2=C(N(C(=C2)C)C3=CC4=C(C=C3)OCO4)C)C1=O)NC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC(=CC2=C(N(C(=C2)C)C3=CC4=C(C=C3)OCO4)C)C1=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H24N2O5S/c1-4-32-27(31)24-25(30)23(35-26(24)28-19-8-6-5-7-9-19)13-18-12-16(2)29(17(18)3)20-10-11-21-22(14-20)34-15-33-21/h5-14,28H,4,15H2,1-3H3