[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC4=C(C=C3)N=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC4=C(C=C3)N=CS4)OC1

InChI

InChI=1S/C19H16N2O5S/c22-18(21-13-3-5-15-16(9-13)25-7-1-6-24-15)10-26-19(23)12-2-4-14-17(8-12)27-11-20-14/h2-5,8-9,11H,1,6-7,10H2,(H,21,22)