phenacyl 6-(1,3-benzothiazol-2-ylamino)hexanoate

Systemtic Name: phenacyl 6-(1,3-benzothiazol-2-ylamino)hexanoate Openeye Name: phenacyl 6-(1,3-benzothiazol-2-ylamino)hexanoate CAS Name: 6-(1,3-benzothiazol-2-ylamino)hexanoic acid phenacyl ester IUPAC Name: phenacyl 6-(1,3-benzothiazol-2-ylamino)hexanoate Traditional Name: 6-(1,3-benzothiazol-2-ylamino)hexanoic acid phenacyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)CCCCCNC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)CCCCCNC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O3S/c24-18(16-9-3-1-4-10-16)15-26-20(25)13-5-2-8-14-22-21-23-17-11-6-7-12-19(17)27-21/h1,3-4,6-7,9-12H,2,5,8,13-15H2,(H,22,23)