ethyl 5-(1,3-benzodioxol-5-yl)-4-oxidanylidene-2-phenylazanyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-yl)-4-oxidanylidene-2-phenylazanyl-thiophene-3-carboxylate Openeye Name: ethyl 2-anilino-5-(1,3-benzodioxol-5-yl)-4-oxo-thiophene-3-carboxylate CAS Name: 2-anilino-5-(1,3-benzodioxol-5-yl)-4-oxo-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-anilino-5-(1,3-benzodioxol-5-yl)-4-oxothiophene-3-carboxylate Traditional Name: 2-anilino-5-(1,3-benzodioxol-5-yl)-4-keto-thiophene-3-carboxylic acid ethyl ester Formula: C20H17NO5S MolecularWeight: 383.41768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(C1=O)C2=CC3=C(C=C2)OCO3)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(C1=O)C2=CC3=C(C=C2)OCO3)NC4=CC=CC=C4

InChI

InChI=1S/C20H17NO5S/c1-2-24-20(23)16-17(22)18(12-8-9-14-15(10-12)26-11-25-14)27-19(16)21-13-6-4-3-5-7-13/h3-10,18,21H,2,11H2,1H3