[2-(hexylamino)-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-(hexylamino)-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-(hexylamino)-2-keto-ethyl] ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)COC(=O)C1=CC2=C(C=C1)N=CS2

Isomeric SMILES

CCCCCCNC(=O)COC(=O)C1=CC2=C(C=C1)N=CS2

InChI

InChI=1S/C16H20N2O3S/c1-2-3-4-5-8-17-15(19)10-21-16(20)12-6-7-13-14(9-12)22-11-18-13/h6-7,9,11H,2-5,8,10H2,1H3,(H,17,19)