[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 5-ethanoylthiophene-2-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 5-ethanoylthiophene-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 5-acetylthiophene-2-carboxylate CAS Name: 5-acetyl-2-thiophenecarboxylic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 5-acetylthiophene-2-carboxylate Traditional Name: 5-acetylthiophene-2-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H15NO6S MolecularWeight: 361.3691

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=C(S3)C(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=C(S3)C(=O)C

InChI

InChI=1S/C17H15NO6S/c1-9(19)14-5-6-15(25-14)17(21)24-10(2)16(20)18-11-3-4-12-13(7-11)23-8-22-12/h3-7,10H,8H2,1-2H3,(H,18,20)