ethyl 2-[2-(1-adamantylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(1-adamantylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(adamantane-1-carbonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1-adamantyl(oxo)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(adamantane-1-carbonylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(adamantane-1-carbonylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2SC1=NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2SC1=NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H26N2O3S/c1-2-27-19(25)13-24-17-5-3-4-6-18(17)28-21(24)23-20(26)22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-16H,2,7-13H2,1H3