[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4,5-bis(bromanyl)thiophene-2-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4,5-bis(bromanyl)thiophene-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 4,5-dibromothiophene-2-carboxylate CAS Name: 4,5-dibromo-2-thiophenecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4,5-dibromothiophene-2-carboxylate Traditional Name: 4,5-dibromothiophene-2-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C14H9Br2NO5S MolecularWeight: 463.09796

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC(=C(S3)Br)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC(=C(S3)Br)Br

InChI

InChI=1S/C14H9Br2NO5S/c15-8-4-11(23-13(8)16)14(19)20-5-12(18)17-7-1-2-9-10(3-7)22-6-21-9/h1-4H,5-6H2,(H,17,18)