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

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-thiophenecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 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-ethyl] ester Formula: C21H14N2O5S2 MolecularWeight: 438.47626

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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)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC=C(S3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H14N2O5S2/c24-19(22-12-5-6-14-15(9-12)28-11-27-14)10-26-21(25)18-8-7-17(29-18)20-23-13-3-1-2-4-16(13)30-20/h1-9H,10-11H2,(H,22,24)