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

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-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-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H16N2O5S2 MolecularWeight: 452.50284

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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)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=C(S3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H16N2O5S2/c1-12(20(25)23-13-6-7-15-16(10-13)28-11-27-15)29-22(26)19-9-8-18(30-19)21-24-14-4-2-3-5-17(14)31-21/h2-10,12H,11H2,1H3,(H,23,25)